Basic information
- CAS
898751-72-9- Standard SMILES
CCOC(=O)CCCC(=O)c1cc(C)cc(C)c1- InChIKey
OOUMDPFVFQREGZ-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Ethyl 5-(3,5-dimethylphenyl)-5-oxovalerate
- IUPAC
- ethyl 5-(3,5-dimethylphenyl)-5-oxopentanoate
- English name
- Ethyl 5-(3,5-dimethylphenyl)-5-oxovalerate
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
898751-72-9ETHYL 5-(3,5-DIMETHYLPHENYL)-5-OXOVALERATEethyl 5-(3,5-dimethylphenyl)-5-oxopentanoateMFCD01320224DTXSID00645556AKOS016023126ethyl 5-(3,5-dimethylphenyl)-5-oxo-pentanoateF207717ETHYL5-(3,5-DIMETHYLPHENYL)-5-OXOVALERATEBenzenepentanoic acid, 3,5-dimethyl-δ-oxo-, ethyl ester
Database identifiers
- CAS
898751-72-9- PubChem CID
- 24727331
- DTXSID
DTXSID00645556
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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