1-methylcyclohexanol | SBID = 1713 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 96.6 | ||
| Sum Formula: | C7H14O | ||
| M / g/mol: | 114.19 | ||
| Complexity: | 72.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: alcohol
- Name: 1-methylcyclohexanol
- Preferred Abbreviation: 1-methylcyclohexanol
- IUPAC Name: 1-methylcyclohexan-1-ol
- CAS: 590-67-0
- CID: 11550
- InChiKey: VTBOTOBFGSVRMA-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
- CanoSmiles: CC1(CCCCC1)O
- IsoSmiles: CC1(CCCCC1)O
