2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one

C10H12O2 — CID 144624508

IUPAC2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one
SMILESC=CC1=C(C(=C)O)CCCC1=O
InChIInChI=1S/C10H12O2/c1-3-8-9(7(2)11)5-4-6-10(8)12/h3,11H,1-2,4-6H2
InChIKeyQXOSAPIONIRUKH-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.29
Rot. Bonds2

About 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one

2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one (PubChem CID 144624508) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one
PubChem CID144624508
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one
SMILESC=CC1=C(C(=C)O)CCCC1=O
InChIInChI=1S/C10H12O2/c1-3-8-9(7(2)11)5-4-6-10(8)12/h3,11H,1-2,4-6H2
InChIKeyQXOSAPIONIRUKH-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one?
The IUPAC name of 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one (CID 144624508) is 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one is C=CC1=C(C(=C)O)CCCC1=O.
What is the InChIKey of 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one?
The InChIKey is QXOSAPIONIRUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8-9(7(2)11)5-4-6-10(8)12/h3,11H,1-2,4-6H2.
What are the key properties of 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one?
2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one has a molecular weight of 164.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-(1-hydroxyethenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 144624508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).