4DX
Summary
| Name: | (1S,2S)-2-methylcyclohexanol |
| Synonyms: | trans-2-methylcyclohexanol |
| Formula: | C7 H14 O |
| Formal charge: | 0 |
| Formula weight: | 114.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (1S,2S)-2-methylcyclohexanol |
| OpenEye OEToolkits | 1.6.1 | (1S,2S)-2-methylcyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | OC1CCCCC1C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H]1CCCC[C@@H]1O |
| SMILES | CACTVS | 3.352 | C[CH]1CCCC[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]1CCCC[C@@H]1O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1CCCCC1O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | NDVWOBYBJYUSMF-BQBZGAKWSA-N |
