2,2,6-trimethylcyclohexan-1-one | SBID = 2385 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | 17.07 | ||
| Hydrophilicity (PubChem XLogP): | 2.4 | ||
| Hydrophilicity (Cheng XLogP3): | 2.44 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 119.9 | ||
| Sum Formula: | C9H16O | ||
| M / g/mol: | 140.22 | ||
| Complexity: | 147.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: 2,2,6-trimethylcyclohexan-1-one
- Preferred Abbreviation: 2,2,6-Trimethylcyclohexanone
- IUPAC Name: 2,2,6-trimethylcyclohexan-1-one
- CAS:
- CID: 17000
- InChiKey: ZPVOLGVTNLDBFI-UHFFFAOYSA-N
- InChi: InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
- CanoSmiles: CC1CCCC(C1=O)(C)C
- IsoSmiles: CC1CCCC(C1=O)(C)C
