ChemSpider 2D Image | 5alpha-cucurbitane | C30H54

5α-cucurbitane

  • Molecular FormulaC30H54
  • Average mass414.750 Da
  • Monoisotopic mass414.422546 Da
  • ChemSpider ID25936933
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

5α-cucurbitane
(4R,5R,9β)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholestan [German] [ACD/IUPAC Name]
(4R,5R,9β)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholestane [ACD/IUPAC Name]
(4R,5R,9β)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholestane [French] [ACD/IUPAC Name]
Cucurbitane [Wiki]
Estrane, 17-[(1R)-1,5-dimethylhexyl]-4,4,9,14-tetramethyl-, (5α,9β,10α,17β)- [ACD/Index Name]
65441-59-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 461.3±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 69.4±0.8 kJ/mol
Flash Point: 225.1±13.1 °C
Index of Refraction: 1.486
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 13.77
ACD/LogD (pH 5.5): 12.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.16
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: 30.5±3.0 dyne/cm
Molar Volume: 462.3±3.0 cm3

Click to predict properties on the Chemicalize site





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