Basic information
- CAS
13120-66-6- Standard SMILES
CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=CC1=O- InChIKey
JZXORCGMYQZBBQ-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
perezone has been reported in Perezia with data available.
Names & identifiers
- Preferred name
- 2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone
- IUPAC
- 3-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
13120-66-6NSC365793NSC 3657932-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinonePerezonSCHEMBL3609799CHEMBL1991715NSC-3657932,5-Cyclohexadiene-1,4-dione,2-(1,5-dimethyl-4-hexen-1-yl)-3-hydroxy-5-methyl-NCI60_003367DS-0036682-(1,5-dimethylhex-4-enyl)-3-hydroxy-5-methyl-1,4-benzoquinone
Database identifiers
- CAS
13120-66-6- PubChem CID
- 339385
- ChEMBL
CHEMBL1991715- Nikkaji
- J2.105.278G
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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