bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione

C123H150N12O44 — CID 161312343

IUPACbis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione
SMILESO=C(CCC(COCC(CCOCC(CCOCC(CCOCC(COCC(CCC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.O=C(CCCCC(CCCCC(=O)ON1C(=O)CCC1=O)(CCCCC(=O)ON1C(=O)CCC1=O)CCCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C85H100N8O29.C38H50N4O15/c94-62(21-32-86-70(102)5-6-71(86)103)3-1-56(43-64(96)23-34-88-74(106)9-10-75(88)107)51-121-53-60(47-68(100)27-38-92-82(114)17-18-83(92)115)31-41-119-49-58(45-66(98)25-36-90-78(110)13-14-79(90)111)29-40-118-50-59(46-67(99)26-37-91-80(112)15-16-81(91)113)30-42-120-54-61(48-69(101)28-39-93-84(116)19-20-85(93)117)55-122-52-57(44-65(97)24-35-89-76(108)11-12-77(89)109)2-4-63(95)22-33-87-72(104)7-8-73(87)105;43-26(25-39-27(44)13-14-28(39)45)9-1-5-21-38(22-6-2-10-35(52)55-40-29(46)15-16-30(40)47,23-7-3-11-36(53)56-41-31(48)17-18-32(41)49)24-8-4-12-37(54)57-42-33(50)19-20-34(42)51/h5-20,56-61H,1-4,21-55H2;1-25H2
InChIKeyVJBCVZMZABPDBA-UHFFFAOYSA-N
MW2500.59 g/mol
LogP3.67
Rot. Bonds90

About bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione

bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione (PubChem CID 161312343) has the molecular formula C123H150N12O44 and a molecular weight of 2500.59 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione
PubChem CID161312343
Molecular FormulaC123H150N12O44
Molecular Weight2500.59 g/mol
Exact Mass2498.99
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione
SMILESO=C(CCC(COCC(CCOCC(CCOCC(CCOCC(COCC(CCC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.O=C(CCCCC(CCCCC(=O)ON1C(=O)CCC1=O)(CCCCC(=O)ON1C(=O)CCC1=O)CCCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C85H100N8O29.C38H50N4O15/c94-62(21-32-86-70(102)5-6-71(86)103)3-1-56(43-64(96)23-34-88-74(106)9-10-75(88)107)51-121-53-60(47-68(100)27-38-92-82(114)17-18-83(92)115)31-41-119-49-58(45-66(98)25-36-90-78(110)13-14-79(90)111)29-40-118-50-59(46-67(99)26-37-91-80(112)15-16-81(91)113)30-42-120-54-61(48-69(101)28-39-93-84(116)19-20-85(93)117)55-122-52-57(44-65(97)24-35-89-76(108)11-12-77(89)109)2-4-63(95)22-33-87-72(104)7-8-73(87)105;43-26(25-39-27(44)13-14-28(39)45)9-1-5-21-38(22-6-2-10-35(52)55-40-29(46)15-16-30(40)47,23-7-3-11-36(53)56-41-31(48)17-18-32(41)49)24-8-4-12-37(54)57-42-33(50)19-20-34(42)51/h5-20,56-61H,1-4,21-55H2;1-25H2
InChIKeyVJBCVZMZABPDBA-UHFFFAOYSA-N
XLogP3.67
TPSA727.24 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds90
Heavy Atoms179
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002500.59
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione (CID 161312343) is bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione is O=C(CCC(COCC(CCOCC(CCOCC(CCOCC(COCC(CCC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.O=C(CCCCC(CCCCC(=O)ON1C(=O)CCC1=O)(CCCCC(=O)ON1C(=O)CCC1=O)CCCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione?
The InChIKey is VJBCVZMZABPDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H100N8O29.C38H50N4O15/c94-62(21-32-86-70(102)5-6-71(86)103)3-1-56(43-64(96)23-34-88-74(106)9-10-75(88)107)51-121-53-60(47-68(100)27-38-92-82(114)17-18-83(92)115)31-41-119-49-58(45-66(98)25-36-90-78(110)13-14-79(90)111)29-40-118-50-59(46-67(99)26-37-91-80(112)15-16-81(91)113)30-42-120-54-61(48-69(101)28-39-93-84(116)19-20-85(93)117)55-122-52-57(44-65(97)24-35-89-76(108)11-12-77(89)109)2-4-63(95)22-33-87-72(104)7-8-73(87)105;43-26(25-39-27(44)13-14-28(39)45)9-1-5-21-38(22-6-2-10-35(52)55-40-29(46)15-16-30(40)47,23-7-3-11-36(53)56-41-31(48)17-18-32(41)49)24-8-4-12-37(54)57-42-33(50)19-20-34(42)51/h5-20,56-61H,1-4,21-55H2;1-25H2.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione?
bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione has a molecular weight of 2500.59 g/mol, XLogP of 3.67, 90 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione is sourced from PubChem (CID 161312343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).