18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid

C22H37NO6 — CID 15289551

IUPAC18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H37NO6/c24-19-17-18-20(25)23(19)29-22(28)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21(26)27/h1-18H2,(H,26,27)
InChIKeyINOQSIYQNSSVBB-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.92
Rot. Bonds18

About 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid

18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid (PubChem CID 15289551) has the molecular formula C22H37NO6 and a molecular weight of 411.54 g/mol. Its IUPAC name is 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid.

Molecular Properties

Compound Name18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid
PubChem CID15289551
Molecular FormulaC22H37NO6
Molecular Weight411.54 g/mol
Exact Mass411.26
IUPAC Name18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H37NO6/c24-19-17-18-20(25)23(19)29-22(28)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21(26)27/h1-18H2,(H,26,27)
InChIKeyINOQSIYQNSSVBB-UHFFFAOYSA-N
XLogP4.92
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid?
The IUPAC name of 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid (CID 15289551) is 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid.
What is the SMILES notation for 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid?
The canonical SMILES for 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid?
The InChIKey is INOQSIYQNSSVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO6/c24-19-17-18-20(25)23(19)29-22(28)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21(26)27/h1-18H2,(H,26,27).
What are the key properties of 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid?
18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid has a molecular weight of 411.54 g/mol, XLogP of 4.92, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2,5-dioxopyrrolidin-1-yl)oxy-18-oxooctadecanoic acid is sourced from PubChem (CID 15289551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).