1-{2-[(4-tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpyrrolidin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-{2-[(4-tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpyrrolidin-1-ium--iodide (1/1)
1-{2-[(4-tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpyrrolidin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-1184 |
| Compound Name: | 1-{2-[(4-tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpyrrolidin-1-ium--iodide (1/1) |
| Molecular Weight: | 409.35 |
| Molecular Formula: | C17 H32 N O2 |
| Salt: | I- |
| Smiles: | CC(C)(C)C1CCC(CC1)OC(C[N+]1(C)CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9578 |
| logD: | 3.9578 |
| logSw: | -3.7277 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.7714 |
| InChI Key: | KTWMDAUMLGETQO-UHFFFAOYSA-N |