(2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate

C26H34N2O13 — CID 158788198

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate
SMILESC=COCC(COCC(=O)CCCC(=O)ON1C(=O)CCC1=O)COCC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H34N2O13/c1-2-37-13-18(14-38-16-19(29)5-3-7-25(35)40-27-21(31)9-10-22(27)32)15-39-17-20(30)6-4-8-26(36)41-28-23(33)11-12-24(28)34/h2,18H,1,3-17H2
InChIKeyXTYQHUFNZHVCDY-UHFFFAOYSA-N
MW582.56 g/mol
LogP0.49
Rot. Bonds21

About (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate (PubChem CID 158788198) has the molecular formula C26H34N2O13 and a molecular weight of 582.56 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate
PubChem CID158788198
Molecular FormulaC26H34N2O13
Molecular Weight582.56 g/mol
Exact Mass582.21
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate
SMILESC=COCC(COCC(=O)CCCC(=O)ON1C(=O)CCC1=O)COCC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H34N2O13/c1-2-37-13-18(14-38-16-19(29)5-3-7-25(35)40-27-21(31)9-10-22(27)32)15-39-17-20(30)6-4-8-26(36)41-28-23(33)11-12-24(28)34/h2,18H,1,3-17H2
InChIKeyXTYQHUFNZHVCDY-UHFFFAOYSA-N
XLogP0.49
TPSA189.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.56
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate with MolForge

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Related Compounds

(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-[2-ethenoxy-3-[3-(3-ethenoxy-2-ethoxypropoxy)-2-ethoxypropoxy]propoxy]-4-oxopentanoate
CID 158550729
(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate
CID 158782914
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
CID 118510926
(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
CID 167615874
(2,5-dioxopyrrolidin-1-yl) 8-[3-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoate
CID 118440608
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
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
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
CID 147058530
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
CID 139256325

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate (CID 158788198) is (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate is C=COCC(COCC(=O)CCCC(=O)ON1C(=O)CCC1=O)COCC(=O)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate?
The InChIKey is XTYQHUFNZHVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O13/c1-2-37-13-18(14-38-16-19(29)5-3-7-25(35)40-27-21(31)9-10-22(27)32)15-39-17-20(30)6-4-8-26(36)41-28-23(33)11-12-24(28)34/h2,18H,1,3-17H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate has a molecular weight of 582.56 g/mol, XLogP of 0.49, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]methyl]-3-ethenoxypropoxy]-5-oxohexanoate is sourced from PubChem (CID 158788198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).