9-(acetyloxy)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Chemical Structure Depiction of
9-(acetyloxy)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
9-(acetyloxy)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5858-0016 |
| Compound Name: | 9-(acetyloxy)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1) |
| Molecular Weight: | 393.22 |
| Molecular Formula: | C14 H20 N O4 |
| Salt: | I- |
| Smiles: | CC(=O)Oc1c2COC(C)(C)OCc2c[n+](C)c1C |
| Stereo: | ACHIRAL |
| logP: | 1.7 |
| logD: | 1.7 |
| logSw: | -1.6754 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.634 |
| InChI Key: | IGXWUTRBFZLIEO-UHFFFAOYSA-N |