6-(1,1-Dimethylethyl)-4,4a,5,6,7,8-hexahydro-4-methylnaphthalen-2(3H)-one
Basic information
- CAS
93904-55-3- Standard SMILES
CC1CC(=O)C=C2CCC(C(C)(C)C)CC21- InChIKey
NPEWVIACCSYRRQ-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 6-(1,1-Dimethylethyl)-4,4a,5,6,7,8-hexahydro-4-methylnaphthalen-2(3H)-one
- IUPAC
- 6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
- English name
- 6-(1,1-dimethylethyl)-4,4a,5,6,7,8-hexahydro-4-methylnaphthalen-2(3H)-one
- Molecular formula
- C15H24O
- Molecular weight
- 220.35046
Names & synonyms
93904-55-3EINECS 299-794-16-(1,1-Dimethylethyl)-4,4a,5,6,7,8-hexahydro-4-methylnaphthalen-2(3H)-oneDTXSID60917226NPEWVIACCSYRRQ-UHFFFAOYSA-NNS000638196-tert-Butyl-4-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Database identifiers
- CAS
93904-55-3- PubChem CID
- 5744166
- DTXSID
DTXSID60917226- EC Number
- 299-794-1
- Nikkaji
- J318.625C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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