ChemSpider 2D Image | Diethyl (2E,4E,2'E,4'E)-5,5'-tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diylbis(3-methoxy-2,4-pentadienoate) | C32H36O6

Diethyl (2E,4E,2'E,4'E)-5,5'-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diylbis(3-methoxy-2,4-pentadienoate)

  • Molecular FormulaC32H36O6
  • Average mass516.625 Da
  • Monoisotopic mass516.251160 Da
  • ChemSpider ID9664029

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,2'E,4'E)-5,5'-Tricyclo[8.2.2.24,7]hexadéca-1(12),4,6,10,13,15-hexaène-5,11-diylbis(3-méthoxy-2,4-pentadiénoate) de diéthyle [French] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5,5'-tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[3-methoxy-, diethyl ester, (2E,4E,2'E,4'E)- [ACD/Index Name]
Diethyl (2E,4E,2'E,4'E)-5,5'-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diylbis(3-methoxy-2,4-pentadienoate) [ACD/IUPAC Name]
Diethyl-(2E,4E,2'E,4'E)-5,5'-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5,11-diylbis(3-methoxy-2,4-pentadienoat) [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16158.83
ACD/KOC (pH 5.5): 35806.92
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16158.83
ACD/KOC (pH 7.4): 35806.92
Polar Surface Area: 71 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 455.1±3.0 cm3

Click to predict properties on the Chemicalize site


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