1-(1,2,3,5,6,7,8,8a-Octahydro-6,6,8(or 6,8,8)-trimethyl-1(or 2)-naphthyl)ethan-1-one

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Basic information

CAS: 85665-93-6
Standard SMILES: CC(=O)C1CCC=C2CC(C)(C)CC(C)C21
InChIKey: UPXXKTLSHWQVNB-UHFFFAOYSA-N
Molecular formula: C15H24O
Average molar mass: 220.35 g/mol
Monoisotopic mass: 220.18271539

Names & identifiers

Preferred name: 1-(1,2,3,5,6,7,8,8a-Octahydro-6,6,8(or 6,8,8)-trimethyl-1(or 2)-naphthyl)ethan-1-one
IUPAC: 1-(6,6,8-trimethyl-2,3,5,7,8,8a-hexahydro-1H-naphthalen-1-yl)ethanone

Names & synonyms

EINECS 288-184-085665-93-61-(1,2,3,5,6,7,8,8a-Octahydro-6,6,8(or 6,8,8)-trimethyl-1(or 2)-naphthyl)ethan-1-oneUPXXKTLSHWQVNB-UHFFFAOYSA-NDTXSID6010062651-(6,6,8-Trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)ethan-1-one

Database identifiers

CAS: 85665-93-6
PubChem CID: 56841454
DTXSID: DTXSID601006265
EC Number: 288-184-0

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 324

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Compound notes

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