Basic information
- Standard SMILES
C=C(CCC(C#N)=C(C)OCCCCC)c1ccc(Cl)cc1- InChIKey
ZZSYQICSZQWGCW-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO
- Average molar mass
- 317.9 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-2-pentoxy-6-(4-chlorophenyl)-2,6-heptadiene
- IUPAC
- 5-(4-chlorophenyl)-2-(1-pentoxyethylidene)hex-5-enenitrile
Names & synonyms
SCHEMBL8585695ZZSYQICSZQWGCW-UHFFFAOYSA-N3-cyano-2-pentoxy-6-(4-chlorophenyl)-2,6-heptadiene
Database identifiers
- PubChem CID
- 54574698
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
2 records
Compound notes
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