ChemSpider 2D Image | 5-Hydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-4,15-dioxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-6-yl palmitate | C36H56O6

5-Hydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-4,15-dioxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-6-yl palmitate

  • Molecular FormulaC36H56O6
  • Average mass584.826 Da
  • Monoisotopic mass584.407715 Da
  • ChemSpider ID474952

More details:

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

5-Hydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-4,15-dioxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-6-yl palmitate [ACD/IUPAC Name]
5-Hydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-4,15-dioxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-6-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-6,11-dioxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-5-yl ester [ACD/Index Name]
Palmitate de 5-hydroxy-7-(hydroxyméthyl)-3,11,11,14-tétraméthyl-4,15-dioxotétracyclo[7.5.1.01,5.010,12]pentadéca-2,7-dién-6-yle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-6,11-dioxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-5-yl ester, [1aR-(1aα,2α,5β,5aβ,8aα,9α,10aα)]-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 206.4±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 165.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.58
ACD/LogD (pH 5.5): 10.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8099723.00
ACD/LogD (pH 7.4): 10.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8070597.00
Polar Surface Area: 101 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 522.2±5.0 cm3

Click to predict properties on the Chemicalize site


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