Diethyl 4-acetoxy-4-phenyl-1,3-butanedicarboxylate
Basic information
- Standard SMILES
CCOC(=O)CCC(C(=O)OCC)C(OC(C)=O)c1ccccc1- InChIKey
FKGCVKWVGIEIHK-UHFFFAOYSA-N- Molecular formula
- C18H24O6
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- Diethyl 4-acetoxy-4-phenyl-1,3-butanedicarboxylate
- IUPAC
- diethyl 2-[acetyloxy(phenyl)methyl]pentanedioate
Names & synonyms
SCHEMBL8118727FKGCVKWVGIEIHK-UHFFFAOYSA-Ndiethyl 4-acetoxy-4-phenyl-1,3-butanedicarboxylate
Database identifiers
- PubChem CID
- 19038620
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
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Related reactions
1 records
Compound notes
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