ChemSpider 2D Image | Methyl 2-{3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxybenzyl}-3-(4-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}phenyl)-4-hydroxy-5-oxo-2,5-dihydro-2-furancarboxylate | C39H48O7

Methyl 2-{3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxybenzyl}-3-(4-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}phenyl)-4-hydroxy-5-oxo-2,5-dihydro-2-furancarboxylate

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID65324500

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{3-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-4-hydroxybenzyl}-3-(4-{[(2E)-3,7-diméthyl-2,6-octadién-1-yl]oxy}phényl)-4-hydroxy-5-oxo-2,5-dihydro-2-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Furancarboxylic acid, 2-[[3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]methyl]-3-[4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]phenyl]-2,5-dihydro-4-hydroxy-5-oxo-, methyl ester [ACD/Index Name]
Methyl 2-{3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxybenzyl}-3-(4-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}phenyl)-4-hydroxy-5-oxo-2,5-dihydro-2-furancarboxylate [ACD/IUPAC Name]
Methyl-2-{3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxybenzyl}-3-(4-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}phenyl)-4-hydroxy-5-oxo-2,5-dihydro-2-furancarboxylat [German] [ACD/IUPAC Name]
(+)-4'-O,3''-Digeranyl-butyrolactone II

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

Density: 1.1±0.1 g/cm3
Boiling Point: 780.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 236.2±26.4 °C
Index of Refraction: 1.576
Molar Refractivity: 182.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.57
ACD/LogD (pH 5.5): 9.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2085352.75
ACD/LogD (pH 7.4): 9.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1943195.63
Polar Surface Area: 102 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 550.6±3.0 cm3

Click to predict properties on the Chemicalize site


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