1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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

C123H149N11O45 — CID 158935692

About 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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

1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 158935692) has the molecular formula C123H149N11O45 and a molecular weight of 2501.58 g/mol. Its IUPAC name is 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 Name: 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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: 158935692
• Molecular Formula: C123H149N11O45
• Molecular Weight: 2501.58 g/mol
• Exact Mass: 2499.97
• IUPAC Name: 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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
• SMILES: 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)OC1C(=O)CCC1=O
• InChI: InChI=1S/C85H100N8O29.C38H49N3O16/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;42-25-13-14-26(43)37(25)54-33(50)9-1-5-21-38(22-6-2-10-34(51)55-39-27(44)15-16-28(39)45,23-7-3-11-35(52)56-40-29(46)17-18-30(40)47)24-8-4-12-36(53)57-41-31(48)19-20-32(41)49/h5-20,56-61H,1-4,21-55H2;37H,1-24H2
• InChIKey: JJPSGJDAOPZWNF-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 733.23 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 89
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2501.58
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 158935692) is 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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)OC1C(=O)CCC1=O.

What is the InChIKey of 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 JJPSGJDAOPZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H100N8O29.C38H49N3O16/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;42-25-13-14-26(43)37(25)54-33(50)9-1-5-21-38(22-6-2-10-34(51)55-39-27(44)15-16-28(39)45,23-7-3-11-35(52)56-40-29(46)17-18-30(40)47)24-8-4-12-36(53)57-41-31(48)19-20-32(41)49/h5-20,56-61H,1-4,21-55H2;37H,1-24H2.

What are the key properties of 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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?

1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 2501.58 g/mol, XLogP of 3.79, 89 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[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 158935692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).