4-(2-Ethylhexyloxy)benzonitrile
Basic information
- Standard SMILES
CCCCC(CC)COc1ccc(C#N)cc1- InChIKey
OWDGGOGUYBUCHE-UHFFFAOYSA-N- Molecular formula
- C15H21NO
- Average molar mass
- 231.33 g/mol
- Monoisotopic mass
- 231.16231429
Names & identifiers
- Preferred name
- 4-(2-Ethylhexyloxy)benzonitrile
- IUPAC
- 4-(2-ethylhexoxy)benzonitrile
Names & synonyms
SCHEMBL10066064-(2-ethylhexyloxy)benzonitrileOWDGGOGUYBUCHE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19086187
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
4 records
Compound notes
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