ChemSpider 2D Image | 2,2'-[1,7-Dioxa-4,10-diazacyclododecane-4,10-diylbis(1-oxo-1,2-hexanediyl)]bis(1H-isoindole-1,3(2H)-dione) | C36H44N4O8

2,2'-[1,7-Dioxa-4,10-diazacyclododecane-4,10-diylbis(1-oxo-1,2-hexanediyl)]bis(1H-isoindole-1,3(2H)-dione)

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID3606120

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Isoindole-1,3(2H)-dione, 2,2'-[1,7-dioxa-4,10-diazacyclododecane-4,10-diylbis(1-butyl-2-oxo-2,1-ethanediyl)]bis- [ACD/Index Name]
2,2'-[1,7-Dioxa-4,10-diazacyclododecan-4,10-diylbis(1-oxo-1,2-hexandiyl)]bis(1H-isoindol-1,3(2H)-dion) [German] [ACD/IUPAC Name]
2,2'-[1,7-Dioxa-4,10-diazacyclododecane-4,10-diylbis(1-oxo-1,2-hexanediyl)]bis(1H-isoindole-1,3(2H)-dione) [ACD/IUPAC Name]
2,2'-[1,7-Dioxa-4,10-diazacyclododécane-4,10-diylbis(1-oxo-1,2-hexanediyl)]bis(1H-isoindole-1,3(2H)-dione) [French] [ACD/IUPAC Name]
2-[1-[10-[2-(1,3-dioxoisoindol-2-yl)hexanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-1-oxohexan-2-yl]isoindole-1,3-dione
376619-95-3 [RN]
c36h44n4o8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 829.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 624.01
ACD/KOC (pH 5.5): 3486.60
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 624.01
ACD/KOC (pH 7.4): 3486.60
Polar Surface Area: 134 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 524.9±3.0 cm3

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