HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[(4-Hexylphenyl)ethynyl]benzaldehyde
![4-[(4-Hexylphenyl)ethynyl]benzaldehyde molecular structure](/img/chemical/11289286.png)
Identifiers & Physical Properties
| Molecular formula | C21H22O |
|---|---|
| Average molar mass | 290.4 g/mol |
| SMILES | CCCCCCc1ccc(C#Cc2ccc(C=O)cc2)cc1 |
| InChIKey | WJMRBXOIZACEGJ-UHFFFAOYSA-N |
| PubChem CID | 11289286 |
Chemical & Physical Properties
| XLogP | 6.4 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 8 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 369 |