(E)-Ethyl 2-methyl-4-oxo-4-p-tolylbut-2-enoate
Basic information
- Standard SMILES
CCOC(=O)/C(C)=C/C(=O)c1ccc(C)cc1- InChIKey
WIUACUJAFDMFNI-PKNBQFBNSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- (E)-Ethyl 2-methyl-4-oxo-4-p-tolylbut-2-enoate
- IUPAC
- ethyl (E)-2-methyl-4-(4-methylphenyl)-4-oxobut-2-enoate
Names & synonyms
SCHEMBL15000410WIUACUJAFDMFNI-PKNBQFBNSA-N(E)-Ethyl 2-methyl-4-oxo-4-p-tolylbut-2-enoate
Database identifiers
- PubChem CID
- 86685877
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
1 records
Compound notes
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