NWO
Summary
Name: | (1S,3S)-3-methylcyclohexan-1-ol |
Formula: | C7 H14 O |
Formal charge: | 0 |
Formula weight: | 114.185 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1S,3S)-3-methylcyclohexan-1-ol |
OpenEye OEToolkits | 2.0.7 | (1~{S},3~{S})-3-methylcyclohexan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1CC(O)CCC1 |
InChI | InChI | 1.03 | InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 |
InChIKey | InChI | 1.03 | HTSABYAWKQAHBT-BQBZGAKWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@H](O)C1 |
SMILES | CACTVS | 3.385 | C[CH]1CCC[CH](O)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCC[C@@H](C1)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(C1)O |