ethyl (2Z,4Z)-2-cyano-5,9-dimethyldeca-2,4,8-trienoate
Basic information
- CAS
69891-96-9- Standard SMILES
CCOC(=O)/C(C#N)=C\C=C(\C)CCC=C(C)C- InChIKey
YJOXFSAPKHSAQY-FOIMCPNXSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- ethyl (2Z,4Z)-2-cyano-5,9-dimethyldeca-2,4,8-trienoate
- IUPAC
- ethyl (2Z,4Z)-2-cyano-5,9-dimethyldeca-2,4,8-trienoate
Names & synonyms
NSC7917869891-96-9ethyl (2Z,4Z)-2-cyano-5,9-dimethyldeca-2,4,8-trienoateDTXSID60418268NSC-79178
Database identifiers
- CAS
69891-96-9- PubChem CID
- 5357516
- DTXSID
DTXSID60418268
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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