Basic information
- Standard SMILES
CC1=CC(=O)CC(C)(C)[C@]1(O)/C=C\C(C)=C\C(=O)O- InChIKey
JLIDBLDQVAYHNE-ZXAIZGFASA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- (2Z,4Z)-5-[(1R)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
- IUPAC
- (2E,4Z)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Names & synonyms
SCHEMBL2590414CHEMBL1741460DTXSID801358426NCGC00014396NCGC00014396-02NCGC00097503-01(2Z,4Z)-5-[(1R)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
Database identifiers
- PubChem CID
- 5771635
- DTXSID
DTXSID801358426- ChEMBL
CHEMBL1741460
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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