BVH

(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol

Created: 2016-11-11
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count3
Bond Count24
Aromatic Bond Count0
2D diagram of BVH

Chemical Component Summary

Name(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
Systematic Name (OpenEye OEToolkits)(1~{R},2~{R},4~{S})-4-ethenylcyclohexane-1,2-diol
FormulaC8 H14 O2
Molecular Weight142.196
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C1(CCC(\C=C)CC1O)O
SMILESCACTVS3.385O[CH]1CC[CH](C[CH]1O)C=C
SMILESOpenEye OEToolkits2.0.6C=CC1CCC(C(C1)O)O
Canonical SMILESCACTVS3.385 O[C@@H]1CC[C@@H](C[C@H]1O)C=C
Canonical SMILESOpenEye OEToolkits2.0.6 C=C[C@H]1CC[C@H]([C@@H](C1)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 BSJHRRSHDADBTA-XLPZGREQSA-N

Related Resource References

Resource NameReference
PubChem 137349030