6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C21H26N2O8 — CID 22967208

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C21H26N2O8/c24-16-9-10-17(25)22(16)13-5-1-3-7-20(28)30-15-31-21(29)8-4-2-6-14-23-18(26)11-12-19(23)27/h9-12H,1-8,13-15H2
InChIKeyGDGURLJVSVYESW-UHFFFAOYSA-N
MW434.45 g/mol
LogP1.00
Rot. Bonds14

About 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 22967208) has the molecular formula C21H26N2O8 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID22967208
Molecular FormulaC21H26N2O8
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C21H26N2O8/c24-16-9-10-17(25)22(16)13-5-1-3-7-20(28)30-15-31-21(29)8-4-2-6-14-23-18(26)11-12-19(23)27/h9-12H,1-8,13-15H2
InChIKeyGDGURLJVSVYESW-UHFFFAOYSA-N
XLogP1.00
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 22967208) is 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OCOC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is GDGURLJVSVYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O8/c24-16-9-10-17(25)22(16)13-5-1-3-7-20(28)30-15-31-21(29)8-4-2-6-14-23-18(26)11-12-19(23)27/h9-12H,1-8,13-15H2.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 434.45 g/mol, XLogP of 1.00, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 22967208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).