Basic information
- Standard SMILES
COc1ccc(C(=O)OC2C(OC)C=C(C)C(=O)CC2(C)C)cc1- InChIKey
PUZYYADKDMEUGZ-UHFFFAOYSA-N- Molecular formula
- C19H24O5
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- (2-Methoxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 4-methoxybenzoate
- IUPAC
- (2-methoxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 4-methoxybenzoate
Names & synonyms
SCHEMBL8890285
Database identifiers
- PubChem CID
- 22922444
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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