3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile
Chemical Structure Depiction of
3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile
3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile
Compound characteristics
| Compound ID: | 3456-0112 |
| Compound Name: | 3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile |
| Molecular Weight: | 257.37 |
| Molecular Formula: | C17 H23 N O |
| Smiles: | Cc1ccc(cc1)C(CC#N)C1CCOC(C)(C)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7538 |
| logD: | 3.7538 |
| logSw: | -4.0435 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 24.8497 |
| InChI Key: | ZYSJXLPRIKDDAZ-UHFFFAOYSA-N |