Butyl benzyl benzene-1,3-dicarboxylate
Basic information
- CAS
87256-89-1- Standard SMILES
CCCCOC(=O)c1cccc(C(=O)OCc2ccccc2)c1- InChIKey
QDKAUHONDCKMOU-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13615911
Names & identifiers
- Preferred name
- Butyl benzyl benzene-1,3-dicarboxylate
- IUPAC
- 3-O-benzyl 1-O-butyl benzene-1,3-dicarboxylate
Names & synonyms
87256-89-1BUTYL BENZYL BENZENE-1,3-DICARBOXYLATENSC17090SCHEMBL18969810DTXSID30280479NSC-17090Benzyl butyl benzene-1,3-dicarboxylate
Database identifiers
- CAS
87256-89-1- PubChem CID
- 226533
- DTXSID
DTXSID30280479
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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