ChemSpider 2D Image | [(6S,7bS)-3,6,7b-Trimethyl-4-oxo-2,4,5,6,7,7b-hexahydro-1H-cyclobuta[e]inden-6-yl]methyl stearate | C33H54O3

[(6S,7bS)-3,6,7b-Trimethyl-4-oxo-2,4,5,6,7,7b-hexahydro-1H-cyclobuta[e]inden-6-yl]methyl stearate

  • Molecular FormulaC33H54O3
  • Average mass498.780 Da
  • Monoisotopic mass498.407288 Da
  • ChemSpider ID78438007

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(6S,7bS)-3,6,7b-Trimethyl-4-oxo-2,4,5,6,7,7b-hexahydro-1H-cyclobuta[e]inden-6-yl]methyl stearate [ACD/IUPAC Name]
[(6S,7bS)-3,6,7b-Trimethyl-4-oxo-2,4,5,6,7,7b-hexahydro-1H-cyclobuta[e]inden-6-yl]methylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, [(6S,7bS)-2,4,5,6,7,7b-hexahydro-3,6,7b-trimethyl-4-oxo-1H-cyclobut[e]inden-6-yl]methyl ester [ACD/Index Name]
Stéarate de [(6S,7bS)-3,6,7b-triméthyl-4-oxo-2,4,5,6,7,7b-hexahydro-1H-cyclobuta[e]indén-6-yl]méthyle [French] [ACD/IUPAC Name]
Stearoyldelicone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 582.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 240.1±21.5 °C
Index of Refraction: 1.513
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 11.78
ACD/LogD (pH 5.5): 11.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 43 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 497.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement