4-Hexenoic acid, 2-[(diphenylmethylene)amino]-5-methyl-, ethyl ester
Basic information
- CAS
115289-60-6- Standard SMILES
CCOC(=O)C(CC=C(C)C)N=C(c1ccccc1)c1ccccc1- InChIKey
DDOLTLLLKFDIAH-UHFFFAOYSA-N- Molecular formula
- C22H25NO2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.18852904
Names & identifiers
- Preferred name
- 4-Hexenoic acid, 2-[(diphenylmethylene)amino]-5-methyl-, ethyl ester
- IUPAC
- ethyl 2-(benzhydrylideneamino)-5-methylhex-4-enoate
Names & synonyms
115289-60-6SCHEMBL5142674DTXSID6011607124-Hexenoic acid, 2-[(diphenylmethylene)amino]-5-methyl-, ethyl esterDB-429808ethyl 2-((diphenylmethylene)amino)-5-methylhex-4-enoateEthyl 2-[(diphenylmethylidene)amino]-5-methylhex-4-enoate
Database identifiers
- CAS
115289-60-6- PubChem CID
- 10019862
- DTXSID
DTXSID601160712
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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