Basic information
- CAS
14618-12-3- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(C)c1ccccc1- InChIKey
LLZGIWQYEYFCIC-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- Propanedioic acid, (1-phenylethyl)-, diethyl ester
- IUPAC
- diethyl 2-(1-phenylethyl)propanedioate
Names & synonyms
14618-12-3Propanedioic acid, (1-phenylethyl)-, diethyl esterDTXSID90437285RefChem:374427DTXCID103881091,3-DIETHYL 2-(1-PHENYLETHYL)PROPANEDIOATEPropanedioic acid, 2-(1-phenylethyl)-, 1,3-diethyl esterDiethyl 2-(1-phenylethyl)malonateDiethyl 2-(1-phenylethyl)propanedioateSCHEMBL9225532Diethyl (1-phenylethyl)propanedioateethyl 2-ethoxycarbonyl-3-phenylbutanoate
Database identifiers
- CAS
14618-12-3- PubChem CID
- 10244552
- DTXSID
DTXSID90437285- Nikkaji
- J914.407B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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