OpenMolDB

cyclohexyl nitrite

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
129.16	3	0	2.02				JN_344	None		Not checked

SMILES: O=NOC1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclohexyl nitrite]	2.45	1.57	13.3	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[cyclohexyl nitrite]	2.39	1.20	13.5	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[cyclohexyl nitrite]	2.44	1.56	13.0	25.0	UV-vis spectroscopy	Emilia Iglesias 1998

cyclohexylacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.20	2	1	2.04				SF_C1113	None		Not checked

SMILES: OC(=O)CC1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclohexylacetic acid ]	3.10	1.78	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

cyclohexylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
99.17	1	1	1.98				JN_245	None		Not checked

SMILES: NC1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclohexylamine]	2.74	1.86	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cyclohexylamine]	2.28	0.98	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996

cyclomaltodecaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0262	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[cyclomaltodecaose](1).[benzoate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[2-methyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[3-methyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[4-methyl benzoate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[2,4-dimethyl benzoate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[2,5-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[3,5-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[3,5-dimethoxy benzoate ion]	0.95	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[salicylate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[3-phenyl propionate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[4-tert-butyl benzoate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[ibuprofen anion]	0.30	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

cyclomaltododecaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0263	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[cyclomaltododecaose](1).[benzoate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[2-methyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[3-methyl benzoate ion]	0.85	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[4-methyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[2,4-dimethyl benzoate ion]	0.85	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[2,5-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[3,5-dimethyl benzoate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[3,5-dimethoxy benzoate ion]	0.95	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[salicylate ion]	0.95	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[3-phenyl propionate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[4-tert-butyl benzoate ion]	1.18	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[ibuprofen anion]	1.46	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[1-adamantane carboxylate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

cyclomaltononaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0264	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[cyclomaltononaose](1).[benzoate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[2-methyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[3-methyl benzoate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[4-methyl benzoate ion]	0.30	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[2,4-dimethyl benzoate ion]	0.48	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[2,5-dimethyl benzoate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[3,5-dimethyl benzoate ion]	0.30	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[3,5-dimethoxy benzoate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[salicylate ion]	0.95	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[3-phenyl propionate ion]	0.30	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[4-tert-butyl benzoate ion]	1.67	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[ibuprofen anion]	1.43	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[1-adamantane carboxylate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

cyclomaltotridecaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0265	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[cyclomaltotridecaose](1).[benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[2-methyl benzoate ion]	0.85	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[3-methyl benzoate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[4-methyl benzoate ion]	0.85	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[2,4-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[2,5-dimethyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[3,5-dimethyl benzoate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[3,5-dimethoxy benzoate ion]	1.08	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[salicylate ion]	1.00	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[3-phenyl propionate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[4-tert-butyl benzoate ion]	1.40	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[ibuprofen anion]	1.59	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[1-adamantane carboxylate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

cyclomaltoundecaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0266	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[cyclomaltoundecaose](1).[benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[2-methyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[3-methyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[4-methyl benzoate ion]	0.78	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[2,4-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[2,5-dimethyl benzoate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[3,5-dimethyl benzoate ion]	0.85	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[3,5-dimethoxy benzoate ion]	1.00	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[salicylate ion]	0.90	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[3-phenyl propionate ion]	0.70	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[4-tert-butyl benzoate ion]	0.95	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[ibuprofen anion]	1.08	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[1-adamantane carboxylate ion]	0.60	25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				NT_a0036	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[cyclooctanol]	2.56		8.3	25.0	Absorption spectroscopy	Ueno, Akihiko 1997

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				NT_b0152	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[cyclooctanol]	3.07		7.2	25.0	spectrofluorometric titration	Yu Liu 1999

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				SF_C529	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[unique helical macromolecule consisting of a chromophoric polyacetylene backbone and a b-cyclodextrin as the side group](1).[cyclooctanol]	1.23			25.0	Absorpton and circular dichroism spectroscopies	Eiji Yashima 2006

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				JN_6	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-Deoxy-6-amino{4-[4-(dimethylamino)phenylazo]benzoyl}-BCD (p-methyl red-modified; "2")](1).[cyclooctanol]	3.41		2.52		UV-vis spectroscopy, induced circular dichroism	Tetsuo Kuwabara 1994
[6-Deoxy-6-amino{4-[4-(dimethylamino)phenylazo]benzoyl}-BCD (p-methyl red-modified; "2")](1).[cyclooctanol]	2.63		7.2		UV-vis spectroscopy, induced circular dichroism	Tetsuo Kuwabara 1994

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				SF_C1018	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(p-methoxyphenylseleno)-6- deoxy]-.beta.-cyclodextrin](1).[cyclooctanol ]	3.64		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(ptolylseleno)-6-deoxy]-b-cyclodextrin](1).[cyclooctanol ]	3.65		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				SF_C1125	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[cyclooctanol ]	3.64	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[b-Cyclodextrin](1).[cyclooctanol ]	3.65	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[cyclooctanol ]	2.81	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[cyclooctanol ]	3.00	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

cyclooctanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.21	1	1	2.09				SF_C836	None		Not checked

SMILES: OC1CCCCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-phenyl-b-CD](1).[cyclooctanol ]	3.83	1.36	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-formylphenyl)-b-CD](1).[cyclooctanol ]	3.83	1.91	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-nitrophenyl)-b-CD](1).[cyclooctanol ]	4.00	1.77	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-bromophenyl)-b-CD](1).[cyclooctanol ]	4.21	2.04	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-chlorophenyl)]-b-CD](1).[cyclooctanol ]	4.20	2.19	7.2	25.0	titration microcalorimetry	Yu Liu 2004