2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-. (4aalpha,7beta,8abeta)-

HCID 41133

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Basic information

CAS: 54594-42-2
Standard SMILES: CC(C)C1CCC2(C)CCC(=O)CC2C1
InChIKey: SFCYLKIUQMBSEF-UHFFFAOYSA-N
Molecular formula: C14H24O
Average molar mass: 208.34 g/mol
Monoisotopic mass: 208.18271539

Names & identifiers

Preferred name: 2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-. (4aalpha,7beta,8abeta)-
IUPAC: 4a-methyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one

Names & synonyms

2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-. (4aalpha,7beta,8abeta)-RefChem:105865654594-42-24a-methyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-oneDTXSID50969850SFCYLKIUQMBSEF-UHFFFAOYSA-N2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-, (4a.alpha.,7.beta.,8a.beta.)-7-Isopropyl-4a-methyloctahydro-2(1H)-naphthalenone #4a-methyl-7-(propan-2-yl)octahydronaphthalen-2(1H)-one2(1H)-naphthalenone, octahydro-4alpha-methyl-7-(1-methylethyl)-

Database identifiers

CAS: 54594-42-2
PubChem CID: 41133
DTXSID: DTXSID50969850

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 256

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