6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C26H36N2O8 — CID 22084357

IUPAC6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCCCCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C26H36N2O8/c29-21-13-14-22(30)27(21)17-7-3-5-11-25(33)35-19-9-1-2-10-20-36-26(34)12-6-4-8-18-28-23(31)15-16-24(28)32/h13-16H,1-12,17-20H2
InChIKeyPXRWDZSALJRCSC-UHFFFAOYSA-N
MW504.58 g/mol
LogP2.60
Rot. Bonds19

About 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 22084357) has the molecular formula C26H36N2O8 and a molecular weight of 504.58 g/mol. Its IUPAC name is 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID22084357
Molecular FormulaC26H36N2O8
Molecular Weight504.58 g/mol
Exact Mass504.25
IUPAC Name6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCCCCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C26H36N2O8/c29-21-13-14-22(30)27(21)17-7-3-5-11-25(33)35-19-9-1-2-10-20-36-26(34)12-6-4-8-18-28-23(31)15-16-24(28)32/h13-16H,1-12,17-20H2
InChIKeyPXRWDZSALJRCSC-UHFFFAOYSA-N
XLogP2.60
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate with MolForge

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Launch Full Analysis

Related Compounds

1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CID 11195463
CID 17788007
CID 17788007
2-[3-[[[3-[2-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 18683169
1-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 20631253
10-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2-methylidene-5-oxopyrrol-1-yl)hexanoate
CID 20681110
[4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxymethyl]cyclohexyl]methyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 21359083
2-[1,3-Bis[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]propoxy]propan-2-yloxy]propyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084345
2-[2,2-Bis[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxymethyl]butoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084346
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084349
4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
[7-(2,5-Dioxopyrrol-1-yl)-2-oxoheptyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084358
10-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22949679

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 22084357) is 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OCCCCCCOC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is PXRWDZSALJRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O8/c29-21-13-14-22(30)27(21)17-7-3-5-11-25(33)35-19-9-1-2-10-20-36-26(34)12-6-4-8-18-28-23(31)15-16-24(28)32/h13-16H,1-12,17-20H2.
What are the key properties of 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 504.58 g/mol, XLogP of 2.60, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 22084357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).