4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C24H32N2O8 — CID 22084354

IUPAC4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H32N2O8/c27-19-11-12-20(28)25(19)15-5-1-3-9-23(31)33-17-7-8-18-34-24(32)10-4-2-6-16-26-21(29)13-14-22(26)30/h11-14H,1-10,15-18H2
InChIKeyMLZSJBZIRCDFGV-UHFFFAOYSA-N
MW476.53 g/mol
LogP1.82
Rot. Bonds17

About 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 22084354) has the molecular formula C24H32N2O8 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID22084354
Molecular FormulaC24H32N2O8
Molecular Weight476.53 g/mol
Exact Mass476.22
IUPAC Name4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H32N2O8/c27-19-11-12-20(28)25(19)15-5-1-3-9-23(31)33-17-7-8-18-34-24(32)10-4-2-6-16-26-21(29)13-14-22(26)30/h11-14H,1-10,15-18H2
InChIKeyMLZSJBZIRCDFGV-UHFFFAOYSA-N
XLogP1.82
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 51.82
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

pentyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69338003
2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
CID 122577668
2-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl]-5-(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 58986530
10-(2,5-dioxopyrrol-1-yl)decyl acetate
CID 175460428
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite
CID 174655893
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
3-(2,5-dioxopyrrol-1-yl)propyl carbonochloridate
CID 153373502
2-[3,5-bis[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 6-(2-oxopyrrolidin-1-yl)hexanoate
CID 123671360
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
CID 170745532
CID 170745532

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 22084354) is 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OCCCCOC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is MLZSJBZIRCDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O8/c27-19-11-12-20(28)25(19)15-5-1-3-9-23(31)33-17-7-8-18-34-24(32)10-4-2-6-16-26-21(29)13-14-22(26)30/h11-14H,1-10,15-18H2.
What are the key properties of 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 476.53 g/mol, XLogP of 1.82, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 22084354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).