(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate

C19H33NO11 — CID 123740028

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate
SMILESCOCCOCC(COCCOC)CC(O)COCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H33NO11/c1-25-5-7-27-12-15(13-28-8-6-26-2)11-16(21)14-29-9-10-30-19(24)31-20-17(22)3-4-18(20)23/h15-16,21H,3-14H2,1-2H3
InChIKeyQIICKUNPULVQOA-UHFFFAOYSA-N
MW451.47 g/mol
LogP-0.09
Rot. Bonds18

About (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate

(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate (PubChem CID 123740028) has the molecular formula C19H33NO11 and a molecular weight of 451.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate
PubChem CID123740028
Molecular FormulaC19H33NO11
Molecular Weight451.47 g/mol
Exact Mass451.21
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate
SMILESCOCCOCC(COCCOC)CC(O)COCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H33NO11/c1-25-5-7-27-12-15(13-28-8-6-26-2)11-16(21)14-29-9-10-30-19(24)31-20-17(22)3-4-18(20)23/h15-16,21H,3-14H2,1-2H3
InChIKeyQIICKUNPULVQOA-UHFFFAOYSA-N
XLogP-0.09
TPSA139.29 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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

(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) 2-(2-methoxyethoxy)ethyl carbonate;methane;2-(2-methoxyethoxy)ethanol;molecular iodine;triiodide;hydroiodide
CID 158016260
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one
CID 123174964
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate
CID 122473983
(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate
CID 59499271
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
CID 172913564
CID 172913564

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate (CID 123740028) is (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate is COCCOCC(COCCOC)CC(O)COCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate?
The InChIKey is QIICKUNPULVQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO11/c1-25-5-7-27-12-15(13-28-8-6-26-2)11-16(21)14-29-9-10-30-19(24)31-20-17(22)3-4-18(20)23/h15-16,21H,3-14H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate has a molecular weight of 451.47 g/mol, XLogP of -0.09, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate is sourced from PubChem (CID 123740028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).