2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C11H16O — CID 14683040

IUPAC2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=CC1C
InChIInChI=1S/C11H16O/c1-7(2)10-6-11(12)9(4)5-8(10)3/h5,8,10H,1,6H2,2-4H3
InChIKeyFVVKLOHPWDWCPA-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.73
Rot. Bonds1

About 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 14683040) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID14683040
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=CC1C
InChIInChI=1S/C11H16O/c1-7(2)10-6-11(12)9(4)5-8(10)3/h5,8,10H,1,6H2,2-4H3
InChIKeyFVVKLOHPWDWCPA-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.73
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 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 14683040) is 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1CC(=O)C(C)=CC1C.
What is the InChIKey of 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is FVVKLOHPWDWCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7(2)10-6-11(12)9(4)5-8(10)3/h5,8,10H,1,6H2,2-4H3.
What are the key properties of 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 14683040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).