ChemSpider 2D Image | (2Z,8Z,14Z,20Z)-5,17,27,31-Tetrakis(methylsulfanyl)pentacyclo[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 | C36H32S4

(2Z,8Z,14Z,20Z)-5,17,27,31-Tetrakis(methylsulfanyl)pentacyclo[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 FormulaC36H32S4
  • Average mass592.899 Da
  • Monoisotopic mass592.138672 Da
  • ChemSpider ID110417242

  • 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-Tetrakis(methylsulfanyl)pentacyclo[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-Tetrakis(methylsulfanyl)pentacyclo[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-Tétrakis(méthylsulfanyl)pentacyclo[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-tetrakis(methylthio)-, (2Z,8Z,14Z,20Z)- [ACD/Index Name]
Methylthio-substituted [2.2.2.2]paracyclophanetetraene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 292.7±33.0 °C
Index of Refraction: 1.724
Molar Refractivity: 186.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 14.08
ACD/LogD (pH 5.5): 12.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 101 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 469.0±5.0 cm3

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