ethyl (4-benzyl-2,2-dimethyloxan-4-yl)(cyano)acetate
Chemical Structure Depiction of
ethyl (4-benzyl-2,2-dimethyloxan-4-yl)(cyano)acetate
ethyl (4-benzyl-2,2-dimethyloxan-4-yl)(cyano)acetate
Compound characteristics
| Compound ID: | 5586-1855 |
| Compound Name: | ethyl (4-benzyl-2,2-dimethyloxan-4-yl)(cyano)acetate |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C19 H25 N O3 |
| Smiles: | CCOC(C(C#N)C1(CCOC(C)(C)C1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5689 |
| logD: | 3.5689 |
| logSw: | -3.4335 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.168 |
| InChI Key: | IVKJJYPTGRKTGJ-UHFFFAOYSA-N |