2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate

C24H20N2O11 — CID 21239173

IUPAC2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
SMILESO=C(CON1C(=O)c2ccccc2C1=O)OCCOCCOC(=O)CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O11/c27-19(13-36-25-21(29)15-5-1-2-6-16(15)22(25)30)34-11-9-33-10-12-35-20(28)14-37-26-23(31)17-7-3-4-8-18(17)24(26)32/h1-8H,9-14H2
InChIKeyYTSSMGQDOZDMCP-UHFFFAOYSA-N
MW512.43 g/mol
LogP0.55
Rot. Bonds12

About 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate

2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate (PubChem CID 21239173) has the molecular formula C24H20N2O11 and a molecular weight of 512.43 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
PubChem CID21239173
Molecular FormulaC24H20N2O11
Molecular Weight512.43 g/mol
Exact Mass512.11
IUPAC Name2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
SMILESO=C(CON1C(=O)c2ccccc2C1=O)OCCOCCOC(=O)CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O11/c27-19(13-36-25-21(29)15-5-1-2-6-16(15)22(25)30)34-11-9-33-10-12-35-20(28)14-37-26-23(31)17-7-3-4-8-18(17)24(26)32/h1-8H,9-14H2
InChIKeyYTSSMGQDOZDMCP-UHFFFAOYSA-N
XLogP0.55
TPSA155.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.43
LogP ≤ 50.55
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

2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 176989880
2-(2-but-3-ynoxyethoxy)isoindole-1,3-dione
CID 134109741
2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
CID 143480902
2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride
CID 158649274
2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione
CID 175182772
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
(2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 123483427
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium
CID 21239171
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
The IUPAC name of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate (CID 21239173) is 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate.
What is the SMILES notation for 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
The canonical SMILES for 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate is O=C(CON1C(=O)c2ccccc2C1=O)OCCOCCOC(=O)CON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
The InChIKey is YTSSMGQDOZDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O11/c27-19(13-36-25-21(29)15-5-1-2-6-16(15)22(25)30)34-11-9-33-10-12-35-20(28)14-37-26-23(31)17-7-3-4-8-18(17)24(26)32/h1-8H,9-14H2.
What are the key properties of 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate has a molecular weight of 512.43 g/mol, XLogP of 0.55, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate is sourced from PubChem (CID 21239173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).