1-(4,6,6-Trimethylcyclohex-3-en-1-yl)ethan-1-one

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Basic information

CAS: 55695-34-6
Standard SMILES: CC(=O)C1CC=C(C)CC1(C)C
InChIKey: SVJSKSJVELSWBO-UHFFFAOYSA-N
Molecular formula: C11H18O
Average molar mass: 166.26 g/mol
Monoisotopic mass: 166.13576519

Names & identifiers

Preferred name: 1-(4,6,6-Trimethylcyclohex-3-en-1-yl)ethan-1-one
IUPAC: 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethanone

Names & synonyms

55695-34-61-(4,6,6-Trimethylcyclohex-3-en-1-yl)ethan-1-oneSCHEMBL11225147DTXSID00608565SVJSKSJVELSWBO-UHFFFAOYSA-N1,5,5-trimethyl-4-acetyl-cyclohex-1-ene

Database identifiers

CAS: 55695-34-6
PubChem CID: 20547239
DTXSID: DTXSID00608565

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 223

Related reactions

2 records

New reaction record

HRID 1449320As productuspto-grants-1980_02

HRID 1449321As reactantuspto-grants-1980_02

Compound notes

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