RefChem:1096261
decyl 2-[1-[(E)-4-[4-[4-[(E)-4-[1-(2-decoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate dichloride
Also Known As: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, didecyl ester|decyl 2-[1-[(E)-4-[4-[4-[(E)-4-[1-(2-decoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate dichloride|Piperidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(3-methyl-2-butene-4,1-diyl)]bis[1-[2-(decyloxy)-2-oxoethyl]-, dichloride
| Molecular Formula | C56H90Cl2N2O4 |
|---|---|
| Molecular Weight | 924.62775 g/mol |
| LogP | 7.7084 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 31 |
| Exact Mass | 924.62775 |
| Monoisotopic Mass | 924.62775 |
| Heavy Atoms | 64 |
| Complexity | 1473.8555 |
Chemical Identifiers
| CAS Number | 55618-75-2 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/CC2=CC=C(C=C2)C3=CC=C(C=C3)C/C(=C/C[N+]4(CCCCC4)CC(=O)OCCCCCCCCCC)/C)\C.[Cl-].[Cl-] |
Product Overview
RefChem:1096261 (CAS 55618-75-2), with molecular formula C56H90Cl2N2O4 and molecular weight 924.62775 g/mol. IUPAC: decyl 2-[1-[(E)-4-[4-[4-[(E)-4-[1-(2-decoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate dichloride.