Basic information
- CAS
57959-48-5- Standard SMILES
CCOC(=O)C(C)(C)C(=O)CC- InChIKey
WIOMWIBESRUZSR-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Ethyl 2,2-dimethyl-3-oxopentanoate
- IUPAC
- ethyl 2,2-dimethyl-3-oxopentanoate
Names & synonyms
Ethyl 2,2-dimethyl-3-oxopentanoate57959-48-5DTXSID30336425RefChem:342153DTXCID80287514Pentanoic acid, 2,2-dimethyl-3-oxo-, ethyl esterMFCD16077047SCHEMBL2443587WIOMWIBESRUZSR-UHFFFAOYSA-Nethyl 2,2-dimethyl-3-oxo-pentanoateAKOS010952368Ethyl 2,2-dimethyl-3-oxopentanoate #
Show more names
2,2-Dimethyl-3-oxopentanoic acid, ethyl esterD84374
Database identifiers
- CAS
57959-48-5- PubChem CID
- 533709
- DTXSID
DTXSID30336425- Nikkaji
- J1.456.052A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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