3-methylcyclohexanol | SBID = 1717 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| 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): | 2.0 | ||
| 3D Volume/Å3: | 97.0 | ||
| Sum Formula: | C7H14O | ||
| M / g/mol: | 114.19 | ||
| Complexity: | 70.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: alcohol
- Name: 3-methylcyclohexanol
- Preferred Abbreviation: 3-methylcyclohexanol
- IUPAC Name: 3-methylcyclohexan-1-ol
- CAS: 591-23-1
- CID: 11566
- InChiKey: HTSABYAWKQAHBT-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
- CanoSmiles: CC1CCCC(C1)O
- IsoSmiles: CC1CCCC(C1)O
