Basic information
- CAS
36065-09-5- Standard SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\c1ccccc1- InChIKey
OIQXFRANQVWXJF-LIQNAMIISA-N- Molecular formula
- C17H20O
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.15141526
Names & identifiers
- Preferred name
- Unisol
- IUPAC
- (1R,3Z,4S)-3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Names & synonyms
UnisolRefChem:1100653Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-, (1R,4S)-Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-, (1R,4S)-EINECS 252-856-1SCHEMBL29369198(+)-1,7,7-Trimethyl-3-(phenylmethylene)bicyclo(2.2.1)heptan-2-one
Database identifiers
- CAS
36065-09-5- PubChem CID
- 6436732
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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