ChemSpider 2D Image | (2Z,8Z,14Z,20Z)-5,17,27,31-Tetramethoxypentacyclo[20.2.2.2~4,7~.2~10,13~.2~16,19~]dotriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31-hexadecaene | C36H32O4

(2Z,8Z,14Z,20Z)-5,17,27,31-Tetramethoxypentacyclo[20.2.2.24,7.210,13.216,19]dotriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31-hexadecaene

  • Molecular FormulaC36H32O4
  • Average mass528.637 Da
  • Monoisotopic mass528.230042 Da
  • ChemSpider ID110417241

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,8Z,14Z,20Z)-5,17,27,31-Tetramethoxypentacyclo[20.2.2.24,7.210,13.216,19]dotriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31-hexadecaen [German] [ACD/IUPAC Name]
(2Z,8Z,14Z,20Z)-5,17,27,31-Tetramethoxypentacyclo[20.2.2.24,7.210,13.216,19]dotriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31-hexadecaene [ACD/IUPAC Name]
(2Z,8Z,14Z,20Z)-5,17,27,31-Tétraméthoxypentacyclo[20.2.2.24,7.210,13.216,19]dotriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31-hexadécaène [French] [ACD/IUPAC Name]
Pentacyclo[20.2.2.24,7.210,13.216,19]dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,25,27,29,31-hexadecaene, 5,17,27,31-tetramethoxy-, (2Z,8Z,14Z,20Z)- [ACD/Index Name]
Methoxy-substituted [2.2.2.2]paracyclophanetetraene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 138.0±38.3 °C
Index of Refraction: 1.595
Molar Refractivity: 160.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 12.50
ACD/LogD (pH 5.5): 10.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6753928.50
ACD/LogD (pH 7.4): 10.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6753928.50
Polar Surface Area: 37 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

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