4-ethenyl-4-methylcyclohex-2-en-1-one

C9H12O — CID 10534710

IUPAC4-ethenyl-4-methylcyclohex-2-en-1-one
SMILESC=CC1(C)C=CC(=O)CC1
InChIInChI=1S/C9H12O/c1-3-9(2)6-4-8(10)5-7-9/h3-4,6H,1,5,7H2,2H3
InChIKeyOVFWPWSMANSTRS-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.10
Rot. Bonds1

About 4-ethenyl-4-methylcyclohex-2-en-1-one

4-ethenyl-4-methylcyclohex-2-en-1-one (PubChem CID 10534710) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-ethenyl-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-ethenyl-4-methylcyclohex-2-en-1-one
PubChem CID10534710
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-ethenyl-4-methylcyclohex-2-en-1-one
SMILESC=CC1(C)C=CC(=O)CC1
InChIInChI=1S/C9H12O/c1-3-9(2)6-4-8(10)5-7-9/h3-4,6H,1,5,7H2,2H3
InChIKeyOVFWPWSMANSTRS-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 4-ethenyl-4-methylcyclohex-2-en-1-one?
The IUPAC name of 4-ethenyl-4-methylcyclohex-2-en-1-one (CID 10534710) is 4-ethenyl-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-ethenyl-4-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-ethenyl-4-methylcyclohex-2-en-1-one is C=CC1(C)C=CC(=O)CC1.
What is the InChIKey of 4-ethenyl-4-methylcyclohex-2-en-1-one?
The InChIKey is OVFWPWSMANSTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-9(2)6-4-8(10)5-7-9/h3-4,6H,1,5,7H2,2H3.
What are the key properties of 4-ethenyl-4-methylcyclohex-2-en-1-one?
4-ethenyl-4-methylcyclohex-2-en-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).