1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium--bromide (1/1)
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1671-0010 |
| Compound Name: | 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2,3-dimethylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 476.54 |
| Molecular Formula: | C27 H42 N O |
| Salt: | Br- |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC[n+]1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 7.8218 |
| logD: | 7.8218 |
| logSw: | -5.7379 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 9.0388 |
| InChI Key: | FBKDVLVCTRMCFG-UHFFFAOYSA-N |