1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone

C11H16O — CID 13094732

IUPAC1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone
SMILESC=C1CC(C)=C(C)CC1C(C)=O
InChIInChI=1S/C11H16O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h11H,3,5-6H2,1-2,4H3
InChIKeyVQNXYKNCMNFUOO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds1

About 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone

1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone (PubChem CID 13094732) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone
PubChem CID13094732
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone
SMILESC=C1CC(C)=C(C)CC1C(C)=O
InChIInChI=1S/C11H16O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h11H,3,5-6H2,1-2,4H3
InChIKeyVQNXYKNCMNFUOO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone (CID 13094732) is 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone is C=C1CC(C)=C(C)CC1C(C)=O.
What is the InChIKey of 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone?
The InChIKey is VQNXYKNCMNFUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h11H,3,5-6H2,1-2,4H3.
What are the key properties of 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone?
1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone has a molecular weight of 164.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-6-methylidenecyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 13094732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).