ChemSpider 2D Image | 4a,8-Dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl palmitate | C31H48O5

4a,8-Dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl palmitate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID261451

More details:

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

4a,8-Dimethyl-3-methylen-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-ylpalmitat [German] [ACD/IUPAC Name]
4a,8-Dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl palmitate [ACD/IUPAC Name]
Hexadecanoic acid, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl ester [ACD/Index Name]
Palmitate de 4a,8-diméthyl-3-méthylène-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-décahydroazuléno[6,5-b]furan-4-yle [French] [ACD/IUPAC Name]
(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) hexadecanoate
40780-06-1 [RN]

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

NSC166128 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 255.5±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 8.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1601740.75
ACD/LogD (pH 7.4): 8.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1601740.75
Polar Surface Area: 70 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 473.5±5.0 cm3

Click to predict properties on the Chemicalize site


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