Ethyl 3,3-dimethyl-2-oxobutanoate
Basic information
- CAS
5333-74-4- Standard SMILES
CCOC(=O)C(=O)C(C)(C)C- InChIKey
LPUVHKRZLUSGEQ-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- Ethyl 3,3-dimethyl-2-oxobutanoate
- IUPAC
- ethyl 3,3-dimethyl-2-oxobutanoate
- English name
- ethyl 3,3-dimethyl-2-oxobutanoate
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
ethyl 3,3-dimethyl-2-oxobutanoateDTXSID40277436RefChem:1084826DTXCID902285945333-74-4Butanoic acid, 3,3-dimethyl-2-oxo-, ethyl esterNSC-2341NSC2341ethyl trimethyl-pyruvateJJ8VFG68ESSCHEMBL3853357ETHYL TERT-BUTYLGLYOXYLATE
Show more names
ethyl 3,3-dimethyl-2-oxobutyrateDA-051453,3-dimethyl-2-oxo-butyric acid ethyl esterBUTYRIC ACID, 3,3-DIMETHYL-2-OXO-, ETHYL ESTER
Database identifiers
- CAS
5333-74-4- PubChem CID
- 220085
- DTXSID
DTXSID40277436- UNII
- JJ8VFG68ES
- Nikkaji
- J805.999C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 65 · 65-66 °C(Press: 15 Torr)
- Density
- 0.9578 g/cm3 · 0.9578 g/cm3
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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