1-[2-(2-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}ethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 162338
• Molecular Formular: C16H20N2O7
• Molecular Mass: 352.3392
• Monoisotopic Mass: 352.12705099
• SMILES: C1(=O)C=CC(=O)N1CCOCCOCCOCCN1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1CCOCCOCCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C16H20N2O7/c19-13-1-2-14(20)17(13)5-7-23-9-11-25-12-10-24-8-6-18-15(21)3-4-16(18)22/h1-4H,5-12H2
• InChIKey: OYRSKXCXEFLTEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}ethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-[2-(2-{2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy}ethoxy)ethyl]pyrrole-2,5-dione
• Synonyms: 1,1'-(3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diyl)bis-1H-pyrrole-2,5-dione; 1,23-Bis(maleimido)heptaethyleneglycol

Database IDs

• CAS Number: 960257-46-9
• PubChem SID: 162256473
• PubChem CID: 3331999

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -1.1369052
• LogD (pH = 7.4): -1.1369052
• Log P: -1.1369052
• Molar Refractivity: 87.6577 cm^3
• Polarizability: 33.096622 Å^3
• Polar Surface Area: 102.45 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B476500

A variety of polyimides and polyesters were prepared for use in space rigidizable inflatable structures (antenna supports, habitats, rovers) for future NASA missions.

REFERENCES

• Meador, M.A., et al.: High Performance Polymers, 19, 665 (2007)