1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-methylpyridin-1-ium--bromide (1/1)
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1671-0005 |
| Compound Name: | 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-methylpyridin-1-ium--bromide (1/1) |
| 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+]1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.39 |
| logD: | 7.39 |
| logSw: | -5.7844 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 10.5138 |
| InChI Key: | FAHRAJIMXOUGEV-UHFFFAOYSA-N |