Trans-2-methylcyclohexanol | SBID = 1715 | 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: | 97.1 | ||
| Sum Formula: | C7H14O | ||
| M / g/mol: | 114.19 | ||
| Complexity: | 70.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: alcohol
- Name: Trans-2-methylcyclohexanol
- Preferred Abbreviation: Trans-2-methylcyclohexanol
- IUPAC Name: (1R,2R)-2-methylcyclohexan-1-ol
- CAS: 7443-52-9
- CID: 24004
- InChiKey: NDVWOBYBJYUSMF-RNFRBKRXSA-N
- InChi: InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
- CanoSmiles: CC1CCCCC1O
- IsoSmiles: C[C@@H]1CCCC[C@H]1O
