Basic information
- Standard SMILES
CC(C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=O- InChIKey
GXLJMSJMXSSYQD-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
Names & identifiers
- Preferred name
- Rac. 5-(2,6,6-trimethyl-3-oxo-4-hydroxy-cyclohex-1-en-1-yl)-3-methyl-penta-2,4-dien-1-al
- IUPAC
- 5-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3-methylpenta-2,4-dienal
Names & synonyms
SCHEMBL11532690GXLJMSJMXSSYQD-UHFFFAOYSA-Nrac. 5-(2,6,6-trimethyl-3-oxo-4-hydroxy-cyclohex-1-en-1-yl)-3-methyl-penta-2,4-dien-1-al
Database identifiers
- PubChem CID
- 73769876
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Related reactions
3 records
Compound notes
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