3-ethenyl-3-hydroxycyclohexan-1-one

C8H12O2 — CID 155931885

IUPAC3-ethenyl-3-hydroxycyclohexan-1-one
SMILESC=CC1(O)CCCC(=O)C1
InChIInChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h2,10H,1,3-6H2
InChIKeyXWFPBNQAIMJQPE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds1

About 3-ethenyl-3-hydroxycyclohexan-1-one

3-ethenyl-3-hydroxycyclohexan-1-one (PubChem CID 155931885) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethenyl-3-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name3-ethenyl-3-hydroxycyclohexan-1-one
PubChem CID155931885
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethenyl-3-hydroxycyclohexan-1-one
SMILESC=CC1(O)CCCC(=O)C1
InChIInChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h2,10H,1,3-6H2
InChIKeyXWFPBNQAIMJQPE-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethenyl-3-hydroxycyclohexan-1-one?
The IUPAC name of 3-ethenyl-3-hydroxycyclohexan-1-one (CID 155931885) is 3-ethenyl-3-hydroxycyclohexan-1-one.
What is the SMILES notation for 3-ethenyl-3-hydroxycyclohexan-1-one?
The canonical SMILES for 3-ethenyl-3-hydroxycyclohexan-1-one is C=CC1(O)CCCC(=O)C1.
What is the InChIKey of 3-ethenyl-3-hydroxycyclohexan-1-one?
The InChIKey is XWFPBNQAIMJQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h2,10H,1,3-6H2.
What are the key properties of 3-ethenyl-3-hydroxycyclohexan-1-one?
3-ethenyl-3-hydroxycyclohexan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-hydroxycyclohexan-1-one is sourced from PubChem (CID 155931885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).