6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
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Basic information
- CAS
69007-46-1- Standard SMILES
CC(C)(C)C1CCC2=C(CCC(=O)C2)C1- InChIKey
OKACDABQAFZGBN-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
- IUPAC
- 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
- English name
- 6-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
EINECS 273-682-269007-46-16-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-oneDTXSID50988768OKACDABQAFZGBN-UHFFFAOYSA-NNS000625996-tert-Butyl-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one6-(1,1-Dimethylethyl)-1,2,3,4,5,6,7,8-octahydronaphthalen-2-one2(1H)-Naphthalenone, 6-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydro-
Database identifiers
- CAS
69007-46-1- PubChem CID
- 3017902
- DTXSID
DTXSID50988768- EC Number
- 273-682-2
- Nikkaji
- J332.789B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 105 · 105-108 °C(Press: 0.05 Torr)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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