Methyl 2,4-dimethyl-5-oxopentanoate
Basic information
- CAS
10348-62-6- Standard SMILES
COC(=O)C(C)CC(C)C=O- InChIKey
OKNRJVQZLSTJEB-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- Methyl 2,4-dimethyl-5-oxopentanoate
- IUPAC
- methyl 2,4-dimethyl-5-oxopentanoate
Names & synonyms
Methyl 2,4-dimethyl-5-oxopentanoate10348-62-6DTXSID20339965RefChem:353661DTXCID90291046Pentanoic acid, 2,4-dimethyl-5-oxo-, methyl esterSCHEMBL4723092OKNRJVQZLSTJEB-UHFFFAOYSA-NMethyl 2,4-dimethyl-5-oxopentanoate #
Database identifiers
- CAS
10348-62-6- PubChem CID
- 560345
- DTXSID
DTXSID20339965
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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