(2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate

C23H42NO10P — CID 88590991

About (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate

(2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate (PubChem CID 88590991) has the molecular formula C23H42NO10P and a molecular weight of 523.56 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate
• PubChem CID: 88590991
• Molecular Formula: C23H42NO10P
• Molecular Weight: 523.56 g/mol
• Exact Mass: 523.25
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate
• SMILES: COCCOCCOP(=O)(OCCCCCCCCCC(=O)ON1C(=O)CCC1=O)OC(C)(C)C
• InChI: InChI=1S/C23H42NO10P/c1-23(2,3)34-35(28,32-19-18-30-17-16-29-4)31-15-11-9-7-5-6-8-10-12-22(27)33-24-20(25)13-14-21(24)26/h5-19H2,1-4H3
• InChIKey: UBUXMOWYZBHDFJ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 126.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate (CID 88590991) is (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate is COCCOCCOP(=O)(OCCCCCCCCCC(=O)ON1C(=O)CCC1=O)OC(C)(C)C.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate?

The InChIKey is UBUXMOWYZBHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42NO10P/c1-23(2,3)34-35(28,32-19-18-30-17-16-29-4)31-15-11-9-7-5-6-8-10-12-22(27)33-24-20(25)13-14-21(24)26/h5-19H2,1-4H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate?

(2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate has a molecular weight of 523.56 g/mol, XLogP of 4.33, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate is sourced from PubChem (CID 88590991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).