1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium
Chemical Structure Depiction of
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium
Compound characteristics
| Compound ID: | 1671-0006 |
| Compound Name: | 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C26 H40 N O |
| Salt: | Br- |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC[n+]1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.7115 |
| logD: | 7.7115 |
| logSw: | -5.5779 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 10.4068 |
| InChI Key: | PDJZSOPTHHVYSX-UHFFFAOYSA-N |