ChemSpider 2D Image | cacolide A | C25H36O4

cacolide A

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID70999828

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2(5H)-Furanone, 5-[(2R,6E,10E)-13-(3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-yl]-5-hydroxy-3-methyl- [ACD/Index Name]
5-[(2R,6E,10E)-13-(3-Furyl)-2,6,10-trimethyl-6,10-tridecadien-1-yl]-5-hydroxy-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
5-[(2R,6E,10E)-13-(3-Furyl)-2,6,10-trimethyl-6,10-tridecadien-1-yl]-5-hydroxy-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
5-[(2R,6E,10E)-13-(3-Furyl)-2,6,10-triméthyl-6,10-tridécadién-1-yl]-5-hydroxy-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
cacolide A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18277.69
ACD/KOC (pH 5.5): 39108.04
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18231.08
ACD/KOC (pH 7.4): 39008.29
Polar Surface Area: 60 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

Click to predict properties on the Chemicalize site


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