ChemSpider 2D Image | (1aS,4R,4aS,5aR,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl palmitate | C31H52O4

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

  • Molecular FormulaC31H52O4
  • Average mass488.742 Da
  • Monoisotopic mass488.386566 Da
  • ChemSpider ID78437088

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aS,4R,4aS,5aR,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl palmitate [ACD/IUPAC Name]
(1aS,4R,4aS,5aR,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydrocyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1aS,4R,4aS,5aR,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]
Palmitate de (1aS,4R,4aS,5aR,5bS,8aR,8bS)-5a,7,7-triméthyloctahydrocyclopropa[4,5]oxiréno[6,7]indéno[5,6-c]furan-4-yle [French] [ACD/IUPAC Name]
Palmitoyl velutinal

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 229.8±27.4 °C
Index of Refraction: 1.523
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 9.83
ACD/LogD (pH 5.5): 9.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3506029.25
ACD/LogD (pH 7.4): 9.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3506029.25
Polar Surface Area: 48 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 460.4±5.0 cm3

Click to predict properties on the Chemicalize site


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