(1S,2S)-trans-1,2-Cyclohexanediol | SBID = 115 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 92.3 | ||
| Sum Formula: | C6H12O2 | ||
| M / g/mol: | 116.16 | ||
| Complexity: | 62.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: alcohol
- Name: (1S,2S)-trans-1,2-Cyclohexanediol
- Preferred Abbreviation: (1S,2S)-trans-1,2-Cyclohexanediol
- IUPAC Name: (1S,2S)-cyclohexane-1,2-diol
- CAS: 57794-08-8
- CID: 7057110
- InChiKey: PFURGBBHAOXLIO-WDSKDSINSA-N
- InChi: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1
- CanoSmiles: C1CCC(C(C1)O)O
- IsoSmiles: C1CC[C@@H]([C@H](C1)O)O
