Mocpcp
2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate
Also Known As: Mocpcp|Xylenol Blue|ACMC-20cq3r|1-{6-[(2-{[(octadecylcarbamoyl)oxy]methyl}prop-2-en-1-yl)oxy]-6-oxohexyl}pyridinium|2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ylhexanoate|N-(5-((2-Methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium|2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate|Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]-,bromide (1:1)|1-[6-[[2-[[[(Octadecylamino)carbonyl]oxy]methyl]-2-propen-1-yl]oxy]-6-oxohexyl]pyridinium|1-{6-[(2-{[(Octadecylcarbamoyl)oxy]methyl}prop-2-en-1-yl)oxy]-6-oxohexyl}pyridin-1-ium
| Molecular Formula | C34H59N2O4+ |
|---|---|
| Molecular Weight | 559.4475 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 29 |
| Exact Mass | 559.4475 |
| Monoisotopic Mass | 559.4475 |
| Heavy Atoms | 40 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 736893-99-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C)COC(=O)CCCCC[N+]1=CC=CC=C1 |
| InChIKey | LUEXYWXHKONSPA-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mocpcp (CAS 736893-99-5), with molecular formula C34H59N2O4+ and molecular weight 559.4475 g/mol. IUPAC: 2-(octadecylcarbamoyloxymethyl)prop-2-enyl 6-pyridin-1-ium-1-ylhexanoate.
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