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

C8H14O2 — CID 137349030

IUPAC(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
SMILESC=C[C@H]1CC[C@@H](O)[C@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1
InChIKeyBSJHRRSHDADBTA-XLPZGREQSA-N
MW142.20 g/mol
LogP0.69
Rot. Bonds1

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

(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol (PubChem CID 137349030) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
PubChem CID137349030
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
SMILESC=C[C@H]1CC[C@@H](O)[C@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1
InChIKeyBSJHRRSHDADBTA-XLPZGREQSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethenylcyclohexan-1-ol
CID 3016411
1,2-Cyclohexanediol, 4-ethenyl-
CID 147393
4-Vinylcyclohexan-1-ol
CID 3018636
(1S,3R)-3-ethenylcyclohexan-1-ol
CID 15329925
cis-3-Vinylcyclohexan-1-ol
CID 44146505
(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol
CID 124373910
trans-(1S,3S)-3-ethenylcyclohexan-1-ol
CID 21149451
trans-3-Vinylcyclohexan-1-ol
CID 44154083
(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol
CID 138626248
(1R,2R,4R)-4-ethenylcyclohexane-1,2-diol
CID 124303908
(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol
CID 137348725
trans-(1R,2R)-4-ethenylcyclohexane-1,2-diol
CID 12663508

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol?
The IUPAC name of (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol (CID 137349030) is (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol.
What is the SMILES notation for (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol?
The canonical SMILES for (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol is C=C[C@H]1CC[C@@H](O)[C@H](O)C1.
What is the InChIKey of (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol?
The InChIKey is BSJHRRSHDADBTA-XLPZGREQSA-N. The full InChI is 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.
What are the key properties of (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol?
(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol is sourced from PubChem (CID 137349030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).