Basic information
- Standard SMILES
COC(=O)CCCCCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1ccccc1- InChIKey
JDQSPBFAXSGYHD-UHFFFAOYSA-N- Molecular formula
- C23H28O4
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- 6-(6-Methoxycarbonyl-1-phenylhexyl)-2,3,5-trimethylbenzoquinone
- IUPAC
- methyl 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoate
Names & synonyms
CHEMBL70992SCHEMBL9019233JDQSPBFAXSGYHD-UHFFFAOYSA-N6-(6-methoxycarbonyl-1-phenylhexyl)-2,3,5-trimethylbenzoquinone
Database identifiers
- PubChem CID
- 9864081
- ChEMBL
CHEMBL70992
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 647
Related reactions
3 records
Compound notes
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