ChemSpider 2D Image | 2,3-secotaraxerane | C30H54

2,3-secotaraxerane

  • Molecular FormulaC30H54
  • Average mass414.750 Da
  • Monoisotopic mass414.422546 Da
  • ChemSpider ID24775598

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2S,4aR,4bR,6aS,10aR,10bS,12aR)-1-Ethyl-1,4a,6a,9,9,10b-hexamethyl-2-(2-methyl-2-propanyl)octadecahydrochrysen [German] [ACD/IUPAC Name]
(1S,2S,4aR,4bR,6aS,10aR,10bS,12aR)-1-Ethyl-1,4a,6a,9,9,10b-hexamethyl-2-(2-methyl-2-propanyl)octadecahydrochrysene [ACD/IUPAC Name]
(1S,2S,4aR,4bR,6aS,10aR,10bS,12aR)-1-Éthyl-1,4a,6a,9,9,10b-hexaméthyl-2-(2-méthyl-2-propanyl)octadécahydrochrysène [French] [ACD/IUPAC Name]
2,3-secotaraxerane
Chrysene, 2-(1,1-dimethylethyl)-1-ethyloctadecahydro-1,4a,6a,9,9,10b-hexamethyl-, (1S,2S,4aR,4bR,6aS,10aR,10bS,12aR)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 451.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 68.3±0.8 kJ/mol
Flash Point: 220.8±13.1 °C
Index of Refraction: 1.479
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 13.78
ACD/LogD (pH 5.5): 12.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 467.3±3.0 cm3

Click to predict properties on the Chemicalize site


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