BVH
(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
Created: | 2016-11-11 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 3 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol |
Systematic Name (OpenEye OEToolkits) | (1~{R},2~{R},4~{S})-4-ethenylcyclohexane-1,2-diol |
Formula | C8 H14 O2 |
Molecular Weight | 142.196 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(CCC(\C=C)CC1O)O |
SMILES | CACTVS | 3.385 | O[CH]1CC[CH](C[CH]1O)C=C |
SMILES | OpenEye OEToolkits | 2.0.6 | C=CC1CCC(C(C1)O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@@H]1CC[C@@H](C[C@H]1O)C=C |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C=C[C@H]1CC[C@H]([C@@H](C1)O)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+/m0/s1 |
InChIKey | InChI | 1.03 | BSJHRRSHDADBTA-XLPZGREQSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349030 |