Basic information
- Standard SMILES
CC(C)=CCCC(C)(O)C(O)CCC(C)=CCCC(C)=CCC1=CC(=O)C=C(C)C1=O- InChIKey
MIUFIRHWLINGPK-UHFFFAOYSA-N- Molecular formula
- C27H40O4
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.29265976
Names & identifiers
- Preferred name
- 2-(10,11-Dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl)-6-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-(10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl)-6-methylcyclohexa-2,5-diene-1,4-dione
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 803
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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