Basic information
- CAS
97763-23-0- Standard SMILES
CC(C)=CCC[C@@H](C)C1=CC(=O)C(C)=C(O)C1=O- InChIKey
HNRKPBAGNHFUNQ-SNVBAGLBSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
Isoperezone has been reported in Perezia with data available.
Names & identifiers
- Preferred name
- Isoperezone
- IUPAC
- 3-hydroxy-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
Isoperezone97763-23-03-hydroxy-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dioneDTXSID402432373-hydroxy-2-methyl-5-((2R)-6-methylhept-5-en-2-yl)cyclohexa-2,5-diene-1,4-dioneRefChem:1497272-(1,5-dimethyl-4-hexenyl)-6-hydroxy-5-methyl-1,4-benzoquinoneDTXCID40165728NSC697134CHEMBL2001361NSC-697134NCI60_034603
Show more names
NS00126080
Database identifiers
- CAS
97763-23-0- PubChem CID
- 178981
- DTXSID
DTXSID40243237- ChEMBL
CHEMBL2001361- Nikkaji
- J894.246C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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