6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate

C23H30N2O11 — CID 162785232

IUPAC6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
SMILESO=C(CCCCC(=O)OCCOC(=O)CCCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C23H30N2O11/c26-16(15-24-17(27)9-10-18(24)28)5-1-2-6-21(31)34-13-14-35-22(32)7-3-4-8-23(33)36-25-19(29)11-12-20(25)30/h1-15H2
InChIKeyPAQWKLHRXKGIGB-UHFFFAOYSA-N
MW510.50 g/mol
LogP0.52
Rot. Bonds16

About 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate

6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate (PubChem CID 162785232) has the molecular formula C23H30N2O11 and a molecular weight of 510.50 g/mol. Its IUPAC name is 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate.

Molecular Properties

Compound Name6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
PubChem CID162785232
Molecular FormulaC23H30N2O11
Molecular Weight510.50 g/mol
Exact Mass510.18
IUPAC Name6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
SMILESO=C(CCCCC(=O)OCCOC(=O)CCCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C23H30N2O11/c26-16(15-24-17(27)9-10-18(24)28)5-1-2-6-21(31)34-13-14-35-22(32)7-3-4-8-23(33)36-25-19(29)11-12-20(25)30/h1-15H2
InChIKeyPAQWKLHRXKGIGB-UHFFFAOYSA-N
XLogP0.52
TPSA170.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate
CID 118359817
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]propyl] butanedioate
CID 160965855
1-O-[2-(2,5-dioxocyclopentyl)ethyl] 8-O-(2,5-dioxopyrrolidin-1-yl) octanedioate
CID 145391032
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242

Frequently Asked Questions

What is the IUPAC name of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate?
The IUPAC name of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate (CID 162785232) is 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate.
What is the SMILES notation for 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate?
The canonical SMILES for 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate is O=C(CCCCC(=O)OCCOC(=O)CCCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)CCC1=O.
What is the InChIKey of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate?
The InChIKey is PAQWKLHRXKGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O11/c26-16(15-24-17(27)9-10-18(24)28)5-1-2-6-21(31)34-13-14-35-22(32)7-3-4-8-23(33)36-25-19(29)11-12-20(25)30/h1-15H2.
What are the key properties of 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate?
6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate has a molecular weight of 510.50 g/mol, XLogP of 0.52, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate is sourced from PubChem (CID 162785232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).