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

C22H28N2O8 — CID 22084349

IUPAC2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H28N2O8/c25-17-9-10-18(26)23(17)13-5-1-3-7-21(29)31-15-16-32-22(30)8-4-2-6-14-24-19(27)11-12-20(24)28/h9-12H,1-8,13-16H2
InChIKeyYUJUYDYOFDWSLP-UHFFFAOYSA-N
MW448.47 g/mol
LogP1.04
Rot. Bonds15

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

2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 22084349) has the molecular formula C22H28N2O8 and a molecular weight of 448.47 g/mol. Its IUPAC name is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID22084349
Molecular FormulaC22H28N2O8
Molecular Weight448.47 g/mol
Exact Mass448.18
IUPAC Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H28N2O8/c25-17-9-10-18(26)23(17)13-5-1-3-7-21(29)31-15-16-32-22(30)8-4-2-6-14-24-19(27)11-12-20(24)28/h9-12H,1-8,13-16H2
InChIKeyYUJUYDYOFDWSLP-UHFFFAOYSA-N
XLogP1.04
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 22084349) is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OCCOC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is YUJUYDYOFDWSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8/c25-17-9-10-18(26)23(17)13-5-1-3-7-21(29)31-15-16-32-22(30)8-4-2-6-14-24-19(27)11-12-20(24)28/h9-12H,1-8,13-16H2.
What are the key properties of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 448.47 g/mol, XLogP of 1.04, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 22084349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).