Enzacamene, (-)
Basic information
- CAS
852541-30-1- Standard SMILES
Cc1ccc(/C=C2/C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1- InChIKey
HEOCBCNFKCOKBX-OYEVUCPFSA-N- Molecular formula
- C18H22O
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.16706532
Names & identifiers
- Preferred name
- Enzacamene, (-)
- IUPAC
- (1S,3E,4R)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
Names & synonyms
Enzacamene, (-)UNII-955UIJ2GWS955UIJ2GWS852541-30-1Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-((4-methylphenyl)methylene)-, (1S,3E,4R)-RefChem:200789(1S,4R)-1,7,7-Trimethyl-3-((E)-4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one4-MBC(-)enzacameneDTXSID901360721Q27271743(1S,3E,4R)-1,7,7-trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one
Database identifiers
- CAS
852541-30-1- PubChem CID
- 6989205
- DTXSID
DTXSID901360721- UNII
- 955UIJ2GWS
- Nikkaji
- J2.174.051I、J265.423G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
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 InformationHazard Traits - Endocrine Toxicity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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