3,3-dimethylbutan-2-one
- CAS:
- Other names:
- SMILES: CC(=O)C(C)(C)C
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 100.16 | 1 | 0 | 1.62 | 17.07 | 1 | 6 | 0.83 | C6H12O |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_281 | 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).[3,3-dimethylbutan-2-one] | 0.98 | -0.44 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
| [b-Cyclodextrin](1).[3,3-dimethylbutan-2-one] | 2.77 | 1.74 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[3,3-dimethylbutan-2-one] | 2.40 | 1.47 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |