Basic information
- CAS
71172-92-4- Standard SMILES
CCOC(=O)C(C#N)(CC)C(C)CC- InChIKey
YARMEVONPLEIRI-UHFFFAOYSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.14157885
Names & identifiers
- Preferred name
- Ethyl 2-cyano-2-ethyl-3-methylpentanoate
- IUPAC
- ethyl 2-cyano-2-ethyl-3-methylpentanoate
- English name
- Ethyl sec.-butylethylcyanoacetate
- Molecular formula
- C11H19NO2
- Molecular weight
- 197.27
Names & synonyms
Ethyl 2-cyano-2-ethyl-3-methylpentanoate71172-92-4DTXSID20299772RefChem:342747DTXCID00250907NSC132623YARMEVONPLEIRI-UHFFFAOYSA-NAKOS024332394NSC-132623ETHYL SEC.-BUTYLETHYLCYANOACETATEEthyl 2-cyano-2-ethyl-3-methylpentanoate #Valeric acid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
Show more names
Pentanoic acid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
Database identifiers
- CAS
71172-92-4- PubChem CID
- 280679
- DTXSID
DTXSID20299772- Nikkaji
- J903.262B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 229.3 · 229.3±8.0 °C(Predicted)
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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