3-cyclohex-3-en-1-ylcyclohexan-1-ol

C12H20O — CID 89084222

IUPAC3-cyclohex-3-en-1-ylcyclohexan-1-ol
SMILESOC1CCCC(C2CC=CCC2)C1
InChIInChI=1S/C12H20O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-2,10-13H,3-9H2
InChIKeyNJPDDYGANSRDGY-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds1

About 3-cyclohex-3-en-1-ylcyclohexan-1-ol

3-cyclohex-3-en-1-ylcyclohexan-1-ol (PubChem CID 89084222) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclohex-3-en-1-ylcyclohexan-1-ol
PubChem CID89084222
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-cyclohex-3-en-1-ylcyclohexan-1-ol
SMILESOC1CCCC(C2CC=CCC2)C1
InChIInChI=1S/C12H20O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-2,10-13H,3-9H2
InChIKeyNJPDDYGANSRDGY-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-ylcyclohexan-1-ol?
The IUPAC name of 3-cyclohex-3-en-1-ylcyclohexan-1-ol (CID 89084222) is 3-cyclohex-3-en-1-ylcyclohexan-1-ol.
What is the SMILES notation for 3-cyclohex-3-en-1-ylcyclohexan-1-ol?
The canonical SMILES for 3-cyclohex-3-en-1-ylcyclohexan-1-ol is OC1CCCC(C2CC=CCC2)C1.
What is the InChIKey of 3-cyclohex-3-en-1-ylcyclohexan-1-ol?
The InChIKey is NJPDDYGANSRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-2,10-13H,3-9H2.
What are the key properties of 3-cyclohex-3-en-1-ylcyclohexan-1-ol?
3-cyclohex-3-en-1-ylcyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-ylcyclohexan-1-ol is sourced from PubChem (CID 89084222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).