About bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate
bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate (PubChem CID 158506983) has the molecular formula C280H470F6N24O60
and a molecular weight of 5246.94 g/mol. Its IUPAC name is bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate.
Frequently Asked Questions
What is the IUPAC name of bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate?
The IUPAC name of bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate (CID 158506983) is bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate.
What is the SMILES notation for bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate?
The canonical SMILES for bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate is CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(O)C3(C)C)C(OC(=O)C3CC(C)(C)NC3(C)C)CC2OC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(O)C3(C)C)C(OC(=O)C3CC(C)(C)NC3(C)C)CC2OC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC3(C)C)C(OC(=O)C3CC(C)(C)NC3(C)C)CC2OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)cc(C(C)(c3cc(C(=O)OCC4CC(C)(C)NC4(C)C)cc(C(=O)OCC4CC(C)(C)NC4(C)C)c3)C(F)(F)F)c2)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)cc(C(C)(c3cc(C(=O)OCC4CC(C)(C)NC4(C)C)cc(C(=O)OCC4CC(C)(C)NC4(C)C)c3)C(F)(F)F)c2)C(C)(C)N1.CN1C(C)(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC3(C)C)C(OC(=O)C3CC(C)(C)N(C)C3(C)C)CC2OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.O.O.O.O.O.O.O.O.
What is the InChIKey of bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate?
The InChIKey is VGJYNMGWUOZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H81F3N4O8.C44H76N4O8.2C42H72N4O10.C42H72N4O8.8H2O/c2*1-46(2)24-38(50(9,10)59-46)28-67-42(63)32-18-33(43(64)68-29-39-25-47(3,4)60-51(39,11)12)21-36(20-32)54(17,55(56,57)58)37-22-34(44(65)69-30-40-26-48(5,6)61-52(40,13)14)19-35(23-37)45(66)70-31-41-27-49(7,8)62-53(41,15)16;1-37(2)21-25(41(9,10)45-37)33(49)53-29-19-32(56-36(52)28-24-40(7,8)48(18)44(28,15)16)30(54-34(50)26-22-38(3,4)46-42(26,11)12)20-31(29)55-35(51)27-23-39(5,6)47(17)43(27,13)14;2*1-35(2)19-23(39(9,10)43-35)31(47)53-27-17-30(56-34(50)26-22-38(7,8)46(52)42(26,15)16)28(54-32(48)24-20-36(3,4)44-40(24,11)12)18-29(27)55-33(49)25-21-37(5,6)45(51)41(25,13)14;1-35(2)19-23(39(9,10)43-35)31(47)51-27-17-29(53-33(49)25-21-37(5,6)45-41(25,13)14)30(54-34(50)26-22-38(7,8)46-42(26,15)16)18-28(27)52-32(48)24-20-36(3,4)44-40(24,11)12;;;;;;;;/h2*18-23,38-41,59-62H,24-31H2,1-17H3;25-32,45-46H,19-24H2,1-18H3;2*23-30,43-44,51-52H,17-22H2,1-16H3;23-30,43-46H,17-22H2,1-16H3;8*1H2.
What are the key properties of bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate?
bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate has a molecular weight of 5246.94 g/mol, XLogP of 34.57, 60 rotatable bonds, 22 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[2-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]-1,1,1-trifluoropropan-2-yl]benzene-1,3-dicarboxylate);bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[2,4,5-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;octahydrate is sourced from PubChem (CID 158506983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).