Ethyl 2-cyano-2-ethyl-3-methylhex-3-enoate
Basic information
- CAS
85392-13-8- Standard SMILES
CC/C=C(\C)C(C#N)(CC)C(=O)OCC- InChIKey
WGRSGSSXYRCXSF-CSKARUKUSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- Ethyl 2-cyano-2-ethyl-3-methylhex-3-enoate
- IUPAC
- ethyl (E)-2-cyano-2-ethyl-3-methylhex-3-enoate
Names & synonyms
85392-13-8Ethyl 2-cyano-2-ethyl-3-methylhex-3-enoateEINECS 286-870-4NSC408273NSC124632NSC128216NSC 124632NSC 128216NSC 408273NSC-124632NSC-128216NSC-408273
Database identifiers
- CAS
85392-13-8- PubChem CID
- 5381817
- EC Number
- 286-870-4
- Nikkaji
- J310.402H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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