ChemSpider 2D Image | (1aS,4R,4aS,5aS,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl 6-oxooctadecanoate | C33H54O5

(1aS,4R,4aS,5aS,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl 6-oxooctadecanoate

  • Molecular FormulaC33H54O5
  • Average mass530.779 Da
  • Monoisotopic mass530.397095 Da
  • ChemSpider ID62915325

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aS,4R,4aS,5aS,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl 6-oxooctadecanoate [ACD/IUPAC Name]
(1aS,4R,4aS,5aS,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl-6-oxooctadecanoat [German] [ACD/IUPAC Name]
6-Oxooctadécanoate de (1aS,4R,4aS,5aS,5bS,8aR,8bS)-5a,7,7-triméthyloctahydrocyclopropa[4,5]oxiréno[6,7]indéno[5,6-c]furan-4-yle [French] [ACD/IUPAC Name]
86533-37-1 [RN]
Octadecanoic acid, 6-oxo-, (1aS,4R,4aS,5aS,5bS,8aR,8bS)-octahydro-5a,7,7-trimethyl-2H,4H-cycloprop[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 281.0±19.5 °C
Index of Refraction: 1.525
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 8.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 894218.56
ACD/LogD (pH 7.4): 8.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 894218.56
Polar Surface Area: 65 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 489.3±5.0 cm3

Click to predict properties on the Chemicalize site


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