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 |