Q6Z
Summary
| Name: | (1R,2R,3S)-3-methylcyclohexane-1,2-diol |
| Formula: | C7 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 130.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2R,3S)-3-methylcyclohexane-1,2-diol |
| OpenEye OEToolkits | 1.9.2 | (1R,2R,3S)-3-methylcyclohexane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(C)CCCC1O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O2/c1-5-3-2-4-6(8)7(5)9/h5-9H,2-4H2,1H3/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | VFRVYGUCOZPHEQ-RRKCRQDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1CCC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1CCC[C@H]([C@@H]1O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CCCC(C1O)O |
