Ethyl 2-cyano-4,4-dimethylpent-2-enoate

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Basic information

CAS: 52685-34-4
Standard SMILES: CCOC(=O)C(C#N)=CC(C)(C)C
InChIKey: ATVJZKJIRNXTEK-UHFFFAOYSA-N
Molecular formula: C10H15NO2
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.11027872

Names & identifiers

Preferred name: Ethyl 2-cyano-4,4-dimethylpent-2-enoate
IUPAC: ethyl 2-cyano-4,4-dimethylpent-2-enoate

Names & synonyms

Ethyl 2-cyano-4,4-dimethylpent-2-enoate52685-34-4SCHEMBL8853279DTXSID40705764ATVJZKJIRNXTEK-UHFFFAOYSA-N2-Cyano-4,4-dimethyl-2-pentenoic acid ethyl ester

Database identifiers

CAS: 52685-34-4
PubChem CID: 53661853
DTXSID: DTXSID40705764

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 262

Related reactions

2 records

New reaction record

HRID 375102As productuspto-grants-1996_01

HRID 1769166As productuspto-grants-1995_01

Compound notes

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