3-ethenylcyclohexan-1-ol

C8H14O — CID 3016411

IUPAC3-ethenylcyclohexan-1-ol
SMILESC=CC1CCCC(O)C1
InChIInChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h2,7-9H,1,3-6H2
InChIKeyZYBGGGUBHNFAEV-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds1

About 3-ethenylcyclohexan-1-ol

3-ethenylcyclohexan-1-ol (PubChem CID 3016411) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethenylcyclohexan-1-ol.

Molecular Properties

Compound Name3-ethenylcyclohexan-1-ol
PubChem CID3016411
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethenylcyclohexan-1-ol
SMILESC=CC1CCCC(O)C1
InChIInChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h2,7-9H,1,3-6H2
InChIKeyZYBGGGUBHNFAEV-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.72
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-ethenylcyclohexan-1-ol?
The IUPAC name of 3-ethenylcyclohexan-1-ol (CID 3016411) is 3-ethenylcyclohexan-1-ol.
What is the SMILES notation for 3-ethenylcyclohexan-1-ol?
The canonical SMILES for 3-ethenylcyclohexan-1-ol is C=CC1CCCC(O)C1.
What is the InChIKey of 3-ethenylcyclohexan-1-ol?
The InChIKey is ZYBGGGUBHNFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h2,7-9H,1,3-6H2.
What are the key properties of 3-ethenylcyclohexan-1-ol?
3-ethenylcyclohexan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylcyclohexan-1-ol is sourced from PubChem (CID 3016411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).