Diethyl 2-benzoylpentanedioate
Basic information
- CAS
1593-10-8- Standard SMILES
CCOC(=O)CCC(C(=O)OCC)C(=O)c1ccccc1- InChIKey
VMSXKUSWFVMKML-UHFFFAOYSA-N- Molecular formula
- C16H20O5
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13107373
Names & identifiers
- Preferred name
- Diethyl 2-benzoylpentanedioate
- IUPAC
- diethyl 2-benzoylpentanedioate
Names & synonyms
1593-10-8diethyl 2-benzoylpentanedioateNSC99391DTXSID30295043NSC-99391
Database identifiers
- CAS
1593-10-8- PubChem CID
- 264333
- DTXSID
DTXSID30295043- Nikkaji
- J3.806.461D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…