Ethyl 2-cyano-3-octylundec-2-enoate
Basic information
- CAS
6637-56-5- Standard SMILES
CCCCCCCCC(CCCCCCCC)=C(C#N)C(=O)OCC- InChIKey
LZZPHJZAAGPGNH-UHFFFAOYSA-N- Molecular formula
- C22H39NO2
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.29807949
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-octylundec-2-enoate
- IUPAC
- ethyl 2-cyano-3-octylundec-2-enoate
Names & synonyms
6637-56-5ethyl 2-cyano-3-octylundec-2-enoateNSC52674DTXSID20287831NSC-52674
Database identifiers
- CAS
6637-56-5- PubChem CID
- 243270
- DTXSID
DTXSID20287831
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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