1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate

C30H44N2O13 — CID 126611155

About 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate

1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate (PubChem CID 126611155) has the molecular formula C30H44N2O13 and a molecular weight of 640.68 g/mol. Its IUPAC name is 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate.

Molecular Properties

• Compound Name: 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate
• PubChem CID: 126611155
• Molecular Formula: C30H44N2O13
• Molecular Weight: 640.68 g/mol
• Exact Mass: 640.28
• IUPAC Name: 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate
• SMILES: CC(CC(=O)OCC(C)(C)COCC(C)(C)COC(=O)CC(C)CC(=O)ON1C(=O)CCC1=O)CC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C30H44N2O13/c1-19(13-27(39)44-31-21(33)7-8-22(31)34)11-25(37)42-17-29(3,4)15-41-16-30(5,6)18-43-26(38)12-20(2)14-28(40)45-32-23(35)9-10-24(32)36/h19-20H,7-18H2,1-6H3
• InChIKey: TUAMJOIZRYYIOS-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 189.19 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.68
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate?

The IUPAC name of 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate (CID 126611155) is 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate.

What is the SMILES notation for 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate?

The canonical SMILES for 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate is CC(CC(=O)OCC(C)(C)COCC(C)(C)COC(=O)CC(C)CC(=O)ON1C(=O)CCC1=O)CC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate?

The InChIKey is TUAMJOIZRYYIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O13/c1-19(13-27(39)44-31-21(33)7-8-22(31)34)11-25(37)42-17-29(3,4)15-41-16-30(5,6)18-43-26(38)12-20(2)14-28(40)45-32-23(35)9-10-24(32)36/h19-20H,7-18H2,1-6H3.

What are the key properties of 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate?

1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate has a molecular weight of 640.68 g/mol, XLogP of 2.19, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate is sourced from PubChem (CID 126611155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).