10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C30H44N2O8 — CID 22949679

IUPAC10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCCCCCCCCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C30H44N2O8/c33-25-17-18-26(34)31(25)21-11-7-9-15-29(37)39-23-13-5-3-1-2-4-6-14-24-40-30(38)16-10-8-12-22-32-27(35)19-20-28(32)36/h17-20H,1-16,21-24H2
InChIKeyTXFICKOAVNTSKH-UHFFFAOYSA-N
MW560.69 g/mol
LogP4.16
Rot. Bonds23

About 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 22949679) has the molecular formula C30H44N2O8 and a molecular weight of 560.69 g/mol. Its IUPAC name is 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID22949679
Molecular FormulaC30H44N2O8
Molecular Weight560.69 g/mol
Exact Mass560.31
IUPAC Name10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCCCCCCCCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C30H44N2O8/c33-25-17-18-26(34)31(25)21-11-7-9-15-29(37)39-23-13-5-3-1-2-4-6-14-24-40-30(38)16-10-8-12-22-32-27(35)19-20-28(32)36/h17-20H,1-16,21-24H2
InChIKeyTXFICKOAVNTSKH-UHFFFAOYSA-N
XLogP4.16
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.69
LogP ≤ 54.16
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'}

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Related Compounds

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-[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
6-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084357
[7-(2,5-Dioxopyrrol-1-yl)-2-oxoheptyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084358
1-O-[9-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-7-methylnonyl] 6-O-[5-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-3-methylpentyl] hexanedioate
CID 22084359
[11-[8-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]octyl]-10-octylicosyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22949682
2-(2,5-Dioxopyrrol-1-yl)ethyl hexadecanoate
CID 22949685
6-(2,5-Dioxopyrrol-1-yl)hexanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22967208
N-Maleoyl-6-NH2hexanoic acid,ET ester
CID 23274571

Frequently Asked Questions

What is the IUPAC name of 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 22949679) is 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OCCCCCCCCCCOC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is TXFICKOAVNTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O8/c33-25-17-18-26(34)31(25)21-11-7-9-15-29(37)39-23-13-5-3-1-2-4-6-14-24-40-30(38)16-10-8-12-22-32-27(35)19-20-28(32)36/h17-20H,1-16,21-24H2.
What are the key properties of 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 560.69 g/mol, XLogP of 4.16, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]decyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 22949679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).