Basic information
- Standard SMILES
COC(=O)CC(CC(=O)OC)C(CC(=O)OCc1ccccc1)C(=O)OC- InChIKey
AKSYIKDIYLBEFL-UHFFFAOYSA-N- Molecular formula
- C19H24O8
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl 6-methyl 3-methoxycarbonyl-4-methoxycarbonylmethyladipate
- IUPAC
- 1-O-benzyl 2-O,4-O-dimethyl 3-(2-methoxy-2-oxoethyl)butane-1,2,4-tricarboxylate
Names & synonyms
SCHEMBL8132964AKSYIKDIYLBEFL-UHFFFAOYSA-N1-benzyl 6-methyl 3-methoxycarbonyl-4-methoxycarbonylmethyladipate
Database identifiers
- PubChem CID
- 19038630
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Compound notes
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