Ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-3,4-dihydro-2h-pyran-5-carboxylate
Basic information
- CAS
90936-96-2- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)OC(CC)C(C)C1=O- InChIKey
JIIDXWVQFJHIRX-UHFFFAOYSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Names & identifiers
- Preferred name
- Ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-3,4-dihydro-2h-pyran-5-carboxylate
- IUPAC
- ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-2,3-dihydropyran-5-carboxylate
Names & synonyms
90936-96-2ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-3,4-dihydro-2h-pyran-5-carboxylateLS 80707ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-2,3-dihydropyran-5-carboxylateorb1696351CHEMBL2286103SCHEMBL11157337DTXSID40920051AKOS030599719T328962H-Pyran-5-carboxylic acid, 2-ethyl-3,4-dihydro-3-methyl-4-oxo-6-phenyl-, ethyl ester
Database identifiers
- CAS
90936-96-2- PubChem CID
- 185056
- DTXSID
DTXSID40920051- ChEMBL
CHEMBL2286103
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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