ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoate
Chemical Structure Depiction of
ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoate
ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoate
Compound characteristics
| Compound ID: | 3456-0167 |
| Compound Name: | ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoate |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C20 H27 N O3 |
| Smiles: | CCOC(C(C#N)C(Cc1ccccc1)C1CCOC(C)(C)C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8863 |
| logD: | 3.8863 |
| logSw: | -3.8469 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.168 |
| InChI Key: | WJDUCWWSKQGQHE-UHFFFAOYSA-N |