1-(3,3,5-Trimethylcyclohexyl)ethan-1-one

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Basic information

CAS: 14886-22-7
Standard SMILES: CC(=O)C1CC(C)CC(C)(C)C1
InChIKey: ALVCXKYZMQCATP-UHFFFAOYSA-N
Molecular formula: C11H20O
Average molar mass: 168.28 g/mol
Monoisotopic mass: 168.15141526

Names & identifiers

Preferred name: 1-(3,3,5-Trimethylcyclohexyl)ethan-1-one
IUPAC: 1-(3,3,5-trimethylcyclohexyl)ethanone
English name: 1-(3,3,5-trimethylcyclohexyl)ethan-1-one
Molecular formula: C11H20O
Molecular weight: 168.2759

Names & synonyms

14886-22-71-(3,3,5-Trimethylcyclohexyl)ethan-1-one1-(3,3,5-trimethylcyclohexyl)ethanoneEINECS 238-959-4SCHEMBL3778963DTXSID10933491ALVCXKYZMQCATP-UHFFFAOYSA-NAKOS015782000NS00052609Ethanone, 1-(3,3,5-trimethylcyclohexyl)-

Database identifiers

CAS: 14886-22-7
PubChem CID: 85783
DTXSID: DTXSID10933491
EC Number: 238-959-4
Nikkaji: J227.224E

Properties

Computed structural properties

XLogP: 2.9
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: 181

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Compound notes

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