cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol

C8H14O2 — CID 143238744

IUPACcis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol
SMILESC/C=C1/C[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h2,7-10H,3-5H2,1H3/b6-2-/t7-,8+/m1/s1
InChIKeyOLRHAJWYQFTQLD-BEPMKGFJSA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds

About cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol

cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol (PubChem CID 143238744) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol
PubChem CID143238744
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol
SMILESC/C=C1/C[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h2,7-10H,3-5H2,1H3/b6-2-/t7-,8+/m1/s1
InChIKeyOLRHAJWYQFTQLD-BEPMKGFJSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.84
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

trans-(1R,3R)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
CID 58687838
4-ethylidene-2,6-dimethylcyclohexan-1-ol
CID 143502169
cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
[(1S)-3-ethylidenecyclopentyl]methanol
CID 159536244
cyclohexane-1,3,5-triol;ethanol
CID 143582059
cyclobutane-1,3-diol
CID 175518786
(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
CID 118659504
(1S,3E)-3-propylidenecyclohexan-1-ol
CID 88974984
5-butylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol
CID 71336497
(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
CID 118659403
(1S,4Z)-4-ethylidene-2,2-dimethylcyclohexan-1-ol
CID 101374109
(4E)-2-butan-2-yloxy-4-ethylidenecyclohexan-1-ol
CID 118673033

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol?
The IUPAC name of cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol (CID 143238744) is cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol.
What is the SMILES notation for cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol?
The canonical SMILES for cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol is C/C=C1/C[C@@H](O)C[C@@H](O)C1.
What is the InChIKey of cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol?
The InChIKey is OLRHAJWYQFTQLD-BEPMKGFJSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h2,7-10H,3-5H2,1H3/b6-2-/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol?
cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol has a molecular weight of 142.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol is sourced from PubChem (CID 143238744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).