ChemSpider 2D Image | (4aS,4bR,6aR,8R,10aR,10bR,12aS)-1,1,4a,8,10a,10b-Hexamethyl-8-(4-methylpentyl)octadecahydrochrysene | C30H54

(4aS,4bR,6aR,8R,10aR,10bR,12aS)-1,1,4a,8,10a,10b-Hexamethyl-8-(4-methylpentyl)octadecahydrochrysene

  • Molecular FormulaC30H54
  • Average mass414.750 Da
  • Monoisotopic mass414.422546 Da
  • ChemSpider ID29336713

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,4bR,6aR,8R,10aR,10bR,12aS)-1,1,4a,8,10a,10b-Hexamethyl-8-(4-methylpentyl)octadecahydrochrysen [German] [ACD/IUPAC Name]
(4aS,4bR,6aR,8R,10aR,10bR,12aS)-1,1,4a,8,10a,10b-Hexamethyl-8-(4-methylpentyl)octadecahydrochrysene [ACD/IUPAC Name]
(4aS,4bR,6aR,8R,10aR,10bR,12aS)-1,1,4a,8,10a,10b-Hexaméthyl-8-(4-méthylpentyl)octadécahydrochrysène [French] [ACD/IUPAC Name]
Chrysene, octadecahydro-1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-, (4aS,4bR,6aR,8R,10aR,10bR,12aS)- [ACD/Index Name]
18,19-secolupane

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

Density: 0.9±0.1 g/cm3
Boiling Point: 459.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 69.2±0.8 kJ/mol
Flash Point: 224.1±13.1 °C
Index of Refraction: 1.480
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 14.00
ACD/LogD (pH 5.5): 12.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 467.4±3.0 cm3

Click to predict properties on the Chemicalize site


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