4-cyano-4-phenylbutyl [2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate
Chemical Structure Depiction of
4-cyano-4-phenylbutyl [2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate
4-cyano-4-phenylbutyl [2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate
Compound characteristics
| Compound ID: | 3966-1262 |
| Compound Name: | 4-cyano-4-phenylbutyl [2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C27 H33 N O3 |
| Smiles: | Cc1ccc(cc1)C1(CCOC(C)(C)C1)CC(=O)OCCCC(C#N)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0759 |
| logD: | 6.0759 |
| logSw: | -5.5204 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.596 |
| InChI Key: | IBFLPBRJAUJAIW-UHFFFAOYSA-N |