octan-3-one
- CAS:
- Other names:
- SMILES: CCCCCC(=O)CC
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 128.21 | 1 | 0 | 2.55 | 17.07 | 5 | 12 | 0.88 | C8H16O |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_272 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[octan-3-one] | 2.59 | 1.32 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
| [b-Cyclodextrin](1).[octan-3-one] | 2.42 | 1.37 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[octan-3-one] | 2.22 | 1.22 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |