ChemSpider 2D Image | 5,18-Diisopropyl-4,19-dimethyl-7,16,31-trioxa-4,19-diazaoctacyclo[20.8.1.1~24,29~.0~1,27~.0~9,14~.0~22,26~.0~23,30~.0~25,28~]dotriaconta-9,11,13-triene | C35H52N2O3

5,18-Diisopropyl-4,19-dimethyl-7,16,31-trioxa-4,19-diazaoctacyclo[20.8.1.124,29.01,27.09,14.022,26.023,30.025,28]dotriaconta-9,11,13-triene

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID9447813

More details:

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

5,18-Diisopropyl-4,19-dimethyl-7,16,31-trioxa-4,19-diazaoctacyclo[20.8.1.124,29.01,27.09,14.022,26.023,30.025,28]dotriaconta-9,11,13-trien [German] [ACD/IUPAC Name]
5,18-Diisopropyl-4,19-dimethyl-7,16,31-trioxa-4,19-diazaoctacyclo[20.8.1.124,29.01,27.09,14.022,26.023,30.025,28]dotriaconta-9,11,13-triene [ACD/IUPAC Name]
5,18-Diisopropyl-4,19-diméthyl-7,16,31-trioxa-4,19-diazaoctacyclo[20.8.1.124,29.01,27.09,14.022,26.023,30.025,28]dotriaconta-9,11,13-triène [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 11.69
ACD/KOC (pH 5.5): 13.91
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 450.28
ACD/KOC (pH 7.4): 535.80
Polar Surface Area: 34 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 468.3±5.0 cm3

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