Basic information
- Standard SMILES
Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)[C@@H]2CC[C@@](C)(O2)C1=O- InChIKey
PIVNDOJHMVYPKN-JJKBQAIRSA-N- Molecular formula
- C22H22O3
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- (1R*,5S*)-3-(3,5-dimethyl-biphenyl-4-yl)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione
- IUPAC
- (1R,5S)-3-(2,6-dimethyl-4-phenylphenyl)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione
Names & synonyms
SCHEMBL3655853PIVNDOJHMVYPKN-JJKBQAIRSA-N(1R*,5S*)-3-(3,5-dimethyl-biphenyl-4-yl)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione
Database identifiers
- PubChem CID
- 68731583
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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