Ethyl 2,6-dicyano-3-methylhex-2-enoate
Basic information
- CAS
83070-88-6- Standard SMILES
CCOC(=O)C(C#N)=C(C)CCCC#N- InChIKey
YBVDHKDICOTEMX-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- Ethyl 2,6-dicyano-3-methylhex-2-enoate
- IUPAC
- ethyl 2,6-dicyano-3-methylhex-2-enoate
Names & synonyms
ETHYL 2,6-DICYANO-3-METHYLHEX-2-ENOATE83070-88-6SCHEMBL10931941DTXSID00711785YBVDHKDICOTEMX-UHFFFAOYSA-Nethyl-2,6-dicyano-3-methyl-2-hexenoate
Database identifiers
- CAS
83070-88-6- PubChem CID
- 54500111
- DTXSID
DTXSID00711785
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 351
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Related reactions
3 records
Compound notes
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