1-(3,8,8-trimethyl-5-propan-2-yl-6,7-dihydro-5H-naphthalen-2-yl)ethanone

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Basic information

CAS: 94003-04-0
Standard SMILES: CC(=O)c1cc2c(cc1C)C(C(C)C)CCC2(C)C
InChIKey: JNNQKUSHJQJLFW-UHFFFAOYSA-N
Molecular formula: C18H26O
Average molar mass: 258.4 g/mol
Monoisotopic mass: 258.19836545

Names & identifiers

Preferred name: 1-(3,8,8-trimethyl-5-propan-2-yl-6,7-dihydro-5H-naphthalen-2-yl)ethanone
IUPAC: 1-(3,8,8-trimethyl-5-propan-2-yl-6,7-dihydro-5H-naphthalen-2-yl)ethanone

Names & synonyms

94003-04-0NSC168381-(3,8,8-trimethyl-5-propan-2-yl-6,7-dihydro-5H-naphthalen-2-yl)ethanoneDTXSID80280449NSC-168381-[3,8,8-Trimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]ethan-1-one

Database identifiers

CAS: 94003-04-0
PubChem CID: 226429
DTXSID: DTXSID80280449

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 342

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Compound notes

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