Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate
C249H446N24O59 — CID 159527091
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate
SMILESCC1(C)CC(C(=O)OC(COC(=O)C2CC(C)(C)N(O)C2(C)C)C(COC(=O)C2CC(C)(C)N(O)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OC(COC(=O)C2CC(C)(C)N(O)C2(C)C)C(COC(=O)C2CC(C)(C)N(O)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)NC2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)N(C)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.CO.CON1C(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.CON1C(C)(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)N(C)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.O.O.O.O
InChIInChI=1S/C44H76N4O9.C42H74N4O9.C42H74N4O8.2C40H70N4O10.C40H70N4O8.CH4O.4H2O/c1-37(2)21-25(41(9,10)45-37)33(49)54-29-20-32(57-36(52)28-24-40(7,8)48(53-18)44(28,15)16)30(55-34(50)26-22-38(3,4)46-42(26,11)12)19-31(29)56-35(51)27-23-39(5,6)47(17)43(27,13)14;1-35(2)19-25(39(9,10)43-35)33(49)54-29(23-52-31(47)27-21-37(5,6)45(17)41(27,13)14)30(55-34(50)26-20-36(3,4)44-40(26,11)12)24-53-32(48)28-22-38(7,8)46(51-18)42(28,15)16;1-35(2)19-25(39(9,10)43-35)33(49)53-29(23-51-31(47)27-21-37(5,6)45(17)41(27,13)14)30(54-34(50)26-20-36(3,4)44-40(26,11)12)24-52-32(48)28-22-38(7,8)46(18)42(28,15)16;2*1-33(2)17-23(37(9,10)41-33)31(47)53-27(21-51-29(45)25-19-35(5,6)43(49)39(25,13)14)28(54-32(48)24-18-34(3,4)42-38(24,11)12)22-52-30(46)26-20-36(7,8)44(50)40(26,15)16;1-33(2)17-23(37(9,10)41-33)29(45)49-21-27(51-31(47)25-19-35(5,6)43-39(25,13)14)28(52-32(48)26-20-36(7,8)44-40(26,15)16)22-50-30(46)24-18-34(3,4)42-38(24,11)12;1-2;;;;/h25-32,45-46H,19-24H2,1-18H3;25-30,43-44H,19-24H2,1-18H3;25-30,43-44H,19-24H2,1-18H3;2*23-28,41-42,49-50H,17-22H2,1-16H3;23-28,41-44H,17-22H2,1-16H3;2H,1H3;4*1H2
InChIKeyHXEAYTZGZFTLPD-UHFFFAOYSA-N
MW4720.42 g/mol
LogP26.54
Rot. Bonds65
About Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate
Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate (PubChem CID 159527091) has the molecular formula C249H446N24O59 and a molecular weight of 4720.42 g/mol. Its IUPAC name is bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate.
Molecular Properties
| Compound Name | Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate |
|---|---|
| PubChem CID | 159527091 |
| Molecular Formula | C249H446N24O59 |
| Molecular Weight | 4720.42 g/mol |
| Exact Mass | 4717.26 |
| IUPAC Name | bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate |
| SMILES | CC1(C)CC(C(=O)OC(COC(=O)C2CC(C)(C)N(O)C2(C)C)C(COC(=O)C2CC(C)(C)N(O)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OC(COC(=O)C2CC(C)(C)N(O)C2(C)C)C(COC(=O)C2CC(C)(C)N(O)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)NC2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)N(C)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.CO.CON1C(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.CON1C(C)(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)N(C)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.O.O.O.O |
| InChI | InChI=1S/C44H76N4O9.C42H74N4O9.C42H74N4O8.2C40H70N4O10.C40H70N4O8.CH4O.4H2O/c1-37(2)21-25(41(9,10)45-37)33(49)54-29-20-32(57-36(52)28-24-40(7,8)48(53-18)44(28,15)16)30(55-34(50)26-22-38(3,4)46-42(26,11)12)19-31(29)56-35(51)27-23-39(5,6)47(17)43(27,13)14;1-35(2)19-25(39(9,10)43-35)33(49)54-29(23-52-31(47)27-21-37(5,6)45(17)41(27,13)14)30(55-34(50)26-20-36(3,4)44-40(26,11)12)24-53-32(48)28-22-38(7,8)46(51-18)42(28,15)16;1-35(2)19-25(39(9,10)43-35)33(49)53-29(23-51-31(47)27-21-37(5,6)45(17)41(27,13)14)30(54-34(50)26-20-36(3,4)44-40(26,11)12)24-52-32(48)28-22-38(7,8)46(18)42(28,15)16;2*1-33(2)17-23(37(9,10)41-33)31(47)53-27(21-51-29(45)25-19-35(5,6)43(49)39(25,13)14)28(54-32(48)24-18-34(3,4)42-38(24,11)12)22-52-30(46)26-20-36(7,8)44(50)40(26,15)16;1-33(2)17-23(37(9,10)41-33)29(45)49-21-27(51-31(47)25-19-35(5,6)43-39(25,13)14)28(52-32(48)26-20-36(7,8)44-40(26,15)16)22-50-30(46)24-18-34(3,4)42-38(24,11)12;1-2;;;;/h25-32,45-46H,19-24H2,1-18H3;25-30,43-44H,19-24H2,1-18H3;25-30,43-44H,19-24H2,1-18H3;2*23-28,41-42,49-50H,17-22H2,1-16H3;23-28,41-44H,17-22H2,1-16H3;2H,1H3;4*1H2 |
| InChIKey | HXEAYTZGZFTLPD-UHFFFAOYSA-N |
| XLogP | 26.54 |
| TPSA | 1077.63 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 79 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 332 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4720.42 |
| LogP ≤ 5 | 26.54 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 79 |
Frequently Asked Questions
What is the IUPAC name of Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate?
The IUPAC name of Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate (CID 159527091) is bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate.
What is the SMILES notation for Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate?
The canonical SMILES for Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate is CC1(C)CC(C(=O)OC(COC(=O)C2CC(C)(C)N(O)C2(C)C)C(COC(=O)C2CC(C)(C)N(O)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OC(COC(=O)C2CC(C)(C)N(O)C2(C)C)C(COC(=O)C2CC(C)(C)N(O)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)NC2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)N(C)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.CO.CON1C(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.CON1C(C)(C)CC(C(=O)OCC(OC(=O)C2CC(C)(C)NC2(C)C)C(COC(=O)C2CC(C)(C)N(C)C2(C)C)OC(=O)C2CC(C)(C)NC2(C)C)C1(C)C.O.O.O.O.
What is the InChIKey of Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate?
The InChIKey is HXEAYTZGZFTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H76N4O9.C42H74N4O9.C42H74N4O8.2C40H70N4O10.C40H70N4O8.CH4O.4H2O/c1-37(2)21-25(41(9,10)45-37)33(49)54-29-20-32(57-36(52)28-24-40(7,8)48(53-18)44(28,15)16)30(55-34(50)26-22-38(3,4)46-42(26,11)12)19-31(29)56-35(51)27-23-39(5,6)47(17)43(27,13)14;1-35(2)19-25(39(9,10)43-35)33(49)54-29(23-52-31(47)27-21-37(5,6)45(17)41(27,13)14)30(55-34(50)26-20-36(3,4)44-40(26,11)12)24-53-32(48)28-22-38(7,8)46(51-18)42(28,15)16;1-35(2)19-25(39(9,10)43-35)33(49)53-29(23-51-31(47)27-21-37(5,6)45(17)41(27,13)14)30(54-34(50)26-20-36(3,4)44-40(26,11)12)24-52-32(48)28-22-38(7,8)46(18)42(28,15)16;2*1-33(2)17-23(37(9,10)41-33)31(47)53-27(21-51-29(45)25-19-35(5,6)43(49)39(25,13)14)28(54-32(48)24-18-34(3,4)42-38(24,11)12)22-52-30(46)26-20-36(7,8)44(50)40(26,15)16;1-33(2)17-23(37(9,10)41-33)29(45)49-21-27(51-31(47)25-19-35(5,6)43-39(25,13)14)28(52-32(48)26-20-36(7,8)44-40(26,15)16)22-50-30(46)24-18-34(3,4)42-38(24,11)12;1-2;;;;/h25-32,45-46H,19-24H2,1-18H3;25-30,43-44H,19-24H2,1-18H3;25-30,43-44H,19-24H2,1-18H3;2*23-28,41-42,49-50H,17-22H2,1-16H3;23-28,41-44H,17-22H2,1-16H3;2H,1H3;4*1H2.
What are the key properties of Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate?
Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate has a molecular weight of 4720.42 g/mol, XLogP of 26.54, 65 rotatable bonds, 19 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for Bis([4-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate);methanol;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1-methoxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy-2,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxy-2,3-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2,3,4-tris[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]butyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;tetrahydrate is sourced from PubChem (CID 159527091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159527091 — identifiers, structure, computed properties (public domain)
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