Basic information
- Standard SMILES
CC(C)=CCCC(C)CCOc1ccc(C#N)cc1- InChIKey
NBGBULBQONOCAX-UHFFFAOYSA-N- Molecular formula
- C17H23NO
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.17796436
Names & identifiers
- Preferred name
- 4-(3,7-Dimethyloct-6-enoxy)benzonitrile
- IUPAC
- 4-(3,7-dimethyloct-6-enoxy)benzonitrile
Names & synonyms
SCHEMBL19962761
Database identifiers
- PubChem CID
- 77219342
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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