DVH
Summary
| Name: | (1S,2S,4R)-4-ethenylcyclohexane-1,2-diol |
| Formula: | C8 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 142.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S,4R)-4-ethenylcyclohexane-1,2-diol |
| OpenEye OEToolkits | 2.0.6 | (1~{S},2~{S},4~{R})-4-ethenylcyclohexane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CCC(\C=C)CC1O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | BSJHRRSHDADBTA-CSMHCCOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CC[C@H](C[C@@H]1O)C=C |
| SMILES | CACTVS | 3.385 | O[CH]1CC[CH](C[CH]1O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=C[C@@H]1CC[C@@H]([C@H](C1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C=CC1CCC(C(C1)O)O |
