methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate

C146H258N12O28 — CID 158543305

IUPACmethane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate
SMILESC.C.C.CC1(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)NC3(C)C)C(C(=O)OCC3CC(C)(C)NC3(C)C)CC2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)c(C(=O)OCC3CC(C)(C)NC3(C)C)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)c(C(=O)OCC3CC(C)(C)NC3(C)C)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.CO.CO.CO.CO
InChIInChI=1S/C47H76N4O8.C46H80N4O8.C46H74N4O8.4CH4O.3CH4/c1-40(2)20-28(44(9,10)48-40)24-56-36(52)32-18-34(38(54)58-26-30-22-42(5,6)50-46(30,13)14)35(39(55)59-27-31-23-43(7,8)51(17)47(31,15)16)19-33(32)37(53)57-25-29-21-41(3,4)49-45(29,11)12;2*1-39(2)19-27(43(9,10)47-39)23-55-35(51)31-17-33(37(53)57-25-29-21-41(5,6)49-45(29,13)14)34(38(54)58-26-30-22-42(7,8)50-46(30,15)16)18-32(31)36(52)56-24-28-20-40(3,4)48-44(28,11)12;4*1-2;;;/h18-19,28-31,48-50H,20-27H2,1-17H3;27-34,47-50H,17-26H2,1-16H3;17-18,27-30,47-50H,19-26H2,1-16H3;4*2H,1H3;3*1H4
InChIKeyHOUHSLDIOFMRAT-UHFFFAOYSA-N
MW2629.73 g/mol
LogP20.73
Rot. Bonds36

About methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate

methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate (PubChem CID 158543305) has the molecular formula C146H258N12O28 and a molecular weight of 2629.73 g/mol. Its IUPAC name is methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate.

Molecular Properties

Compound Namemethane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate
PubChem CID158543305
Molecular FormulaC146H258N12O28
Molecular Weight2629.73 g/mol
Exact Mass2627.91
IUPAC Namemethane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate
SMILESC.C.C.CC1(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)NC3(C)C)C(C(=O)OCC3CC(C)(C)NC3(C)C)CC2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)c(C(=O)OCC3CC(C)(C)NC3(C)C)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)c(C(=O)OCC3CC(C)(C)NC3(C)C)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.CO.CO.CO.CO
InChIInChI=1S/C47H76N4O8.C46H80N4O8.C46H74N4O8.4CH4O.3CH4/c1-40(2)20-28(44(9,10)48-40)24-56-36(52)32-18-34(38(54)58-26-30-22-42(5,6)50-46(30,13)14)35(39(55)59-27-31-23-43(7,8)51(17)47(31,15)16)19-33(32)37(53)57-25-29-21-41(3,4)49-45(29,11)12;2*1-39(2)19-27(43(9,10)47-39)23-55-35(51)31-17-33(37(53)57-25-29-21-41(5,6)49-45(29,13)14)34(38(54)58-26-30-22-42(7,8)50-46(30,15)16)18-32(31)36(52)56-24-28-20-40(3,4)48-44(28,11)12;4*1-2;;;/h18-19,28-31,48-50H,20-27H2,1-17H3;27-34,47-50H,17-26H2,1-16H3;17-18,27-30,47-50H,19-26H2,1-16H3;4*2H,1H3;3*1H4
InChIKeyHOUHSLDIOFMRAT-UHFFFAOYSA-N
XLogP20.73
TPSA532.09 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds36
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002629.73
LogP ≤ 520.73
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate with MolForge

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Related Compounds

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;1-O,4-O,5-O-tris[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;hydrate
CID 157254173
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;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 158203813
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[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[1,1,1-trifluoro-2-[3-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-5-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]propan-2-yl]benzene-1,3-dicarboxylate;methane;octahydrate
CID 159599531
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;tetrakis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate;1-O,4-O,5-O-tris[(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 8-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] naphthalene-1,4,5,8-tetracarboxylate
CID 160335010
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;methanol;[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
CID 161249011
Bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[1,1,1-trifluoro-2-[3-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-5-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]propan-2-yl]benzene-1,3-dicarboxylate
CID 159599532
Tetrakis(2,2,5,5-tetramethylpyrrolidin-3-yl) benzene-1,2,4,5-tetracarboxylate
CID 122415059
Bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate
CID 138723948
Bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 5-[3,5-bis[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,3-dicarboxylate
CID 138723950
2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate
CID 138724121
Tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate
CID 138724122
Bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenyl]benzene-1,2-dicarboxylate
CID 138724152

Frequently Asked Questions

What is the IUPAC name of methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate?
The IUPAC name of methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate (CID 158543305) is methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate.
What is the SMILES notation for methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate?
The canonical SMILES for methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate is C.C.C.CC1(C)CC(COC(=O)C2CC(C(=O)OCC3CC(C)(C)NC3(C)C)C(C(=O)OCC3CC(C)(C)NC3(C)C)CC2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CC1(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)c(C(=O)OCC3CC(C)(C)NC3(C)C)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.CN1C(C)(C)CC(COC(=O)c2cc(C(=O)OCC3CC(C)(C)NC3(C)C)c(C(=O)OCC3CC(C)(C)NC3(C)C)cc2C(=O)OCC2CC(C)(C)NC2(C)C)C1(C)C.CO.CO.CO.CO.
What is the InChIKey of methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate?
The InChIKey is HOUHSLDIOFMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H76N4O8.C46H80N4O8.C46H74N4O8.4CH4O.3CH4/c1-40(2)20-28(44(9,10)48-40)24-56-36(52)32-18-34(38(54)58-26-30-22-42(5,6)50-46(30,13)14)35(39(55)59-27-31-23-43(7,8)51(17)47(31,15)16)19-33(32)37(53)57-25-29-21-41(3,4)49-45(29,11)12;2*1-39(2)19-27(43(9,10)47-39)23-55-35(51)31-17-33(37(53)57-25-29-21-41(5,6)49-45(29,13)14)34(38(54)58-26-30-22-42(7,8)50-46(30,15)16)18-32(31)36(52)56-24-28-20-40(3,4)48-44(28,11)12;4*1-2;;;/h18-19,28-31,48-50H,20-27H2,1-17H3;27-34,47-50H,17-26H2,1-16H3;17-18,27-30,47-50H,19-26H2,1-16H3;4*2H,1H3;3*1H4.
What are the key properties of methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate?
methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate has a molecular weight of 2629.73 g/mol, XLogP of 20.73, 36 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,2,4,5-tetracarboxylate is sourced from PubChem (CID 158543305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).