ethyl cyano[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate
Chemical Structure Depiction of
ethyl cyano[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate
ethyl cyano[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate
Compound characteristics
| Compound ID: | 3456-0170 |
| Compound Name: | ethyl cyano[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C19 H25 N O3 |
| Smiles: | CCOC(C(C#N)C1(CCOC(C)(C)C1)c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9161 |
| logD: | 3.9161 |
| logSw: | -3.9859 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.168 |
| InChI Key: | CYXLBAWOZNHCJF-UHFFFAOYSA-N |