HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(2-Ethylhexyloxy)benzonitrile
Identifiers & Physical Properties
| Molecular formula | C15H21NO |
|---|---|
| Average molar mass | 231.33 g/mol |
| Monoisotopic mass | 231.16231429 g/mol |
| SMILES | CCCCC(CC)COc1ccc(C#N)cc1 |
| InChIKey | OWDGGOGUYBUCHE-UHFFFAOYSA-N |
| PubChem CID | 19086187 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 33 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 7 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 235 |