4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol

C12H20O3 — CID 154518927

IUPAC4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol
SMILESOC1C=CC(OC2CCC(O)CC2)CC1
InChIInChI=1S/C12H20O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1,5,9-14H,2-4,6-8H2
InChIKeyODNGZZRCKJVTOY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.39
Rot. Bonds2

About 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol

4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol (PubChem CID 154518927) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol
PubChem CID154518927
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol
SMILESOC1C=CC(OC2CCC(O)CC2)CC1
InChIInChI=1S/C12H20O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1,5,9-14H,2-4,6-8H2
InChIKeyODNGZZRCKJVTOY-UHFFFAOYSA-N
XLogP1.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol
CID 163520567
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
(1S,4R)-4-phenoxycyclohex-2-en-1-ol
CID 11063214
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359
cyclohexane-1,4-diol
CID 11162
7-[hydroxy-[(2-methylpropan-2-yl)oxy]methoxy]cyclooct-5-ene-1,4-diol
CID 123317711
4-(4-tert-butylcyclohexyl)oxycyclohexan-1-ol
CID 102283442
benzene-1,4-diol;cyclohex-2-ene-1,4-diol
CID 159375181
cyclopropyloxycyclopropane
CID 19900876
[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460742
cyclohexane-1,4-diol;hydrochloride
CID 141062883

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol?
The IUPAC name of 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol (CID 154518927) is 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol.
What is the SMILES notation for 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol?
The canonical SMILES for 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol is OC1C=CC(OC2CCC(O)CC2)CC1.
What is the InChIKey of 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol?
The InChIKey is ODNGZZRCKJVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1,5,9-14H,2-4,6-8H2.
What are the key properties of 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol?
4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexyl)oxycyclohex-2-en-1-ol is sourced from PubChem (CID 154518927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).