Basic information
- CAS
36065-09-5- Standard SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=Cc1ccccc1- InChIKey
OIQXFRANQVWXJF-PBHICJAKSA-N- Molecular formula
- C17H20O
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.15141526
Names & identifiers
- Preferred name
- (1R,4S)-1,7,7-Trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one
- IUPAC
- (1R,4S)-3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Names & synonyms
(1R,4S)-1,7,7-Trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one36065-09-5(1R,4S)-1,7,7-Trimethyl-3-(phenylmethylene)bicyclo(2.2.1)heptan-2-oneRefChem:205074DTXSID201156729NS00124062(1R,4S)-3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Database identifiers
- CAS
36065-09-5- PubChem CID
- 94471
- DTXSID
DTXSID201156729- EC Number
- 252-856-1
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-, (+)-
Other Safety InformationIMAP assessments - 3-benzylidene camphor: Human health tier II assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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