Basic information
- Standard SMILES
C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)OC)cc2OC)cc1- InChIKey
VVQODUPIZLUKEM-MHWRWJLKSA-N- Molecular formula
- C28H32O8
- Average molar mass
- 496.5 g/mol
- Monoisotopic mass
- 496.20971797
Names & identifiers
- Preferred name
- 2-methoxy-4-[(E)-2-methoxycarbonyl-vinyl]-phenyl 4-[6-(2-methyl-acryloyloxy)-hexyloxy]-benzoate
- IUPAC
- [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
Names & synonyms
SCHEMBL1959334SCHEMBL30057768VVQODUPIZLUKEM-MHWRWJLKSA-N2-methoxy-4-[(E)-2-methoxycarbonyl-vinyl]-phenyl 4-[6-(2-methyl-acryloyloxy)-hexyloxy]-benzoate
Database identifiers
- PubChem CID
- 18329183
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
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