ChemSpider 2D Image | 7a-Allyl-6-(2,3-dihydroxy-3-methylbutyl)-1,3-benzodioxol-5(7aH)-one | C15H20O5

7a-Allyl-6-(2,3-dihydroxy-3-methylbutyl)-1,3-benzodioxol-5(7aH)-one

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID24617415

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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1,3-Benzodioxol-5(7aH)-one, 6-(2,3-dihydroxy-3-methylbutyl)-7a-(2-propen-1-yl)- [ACD/Index Name]
7a-Allyl-6-(2,3-dihydroxy-3-methylbutyl)-1,3-benzodioxol-5(7aH)-on [German] [ACD/IUPAC Name]
7a-Allyl-6-(2,3-dihydroxy-3-methylbutyl)-1,3-benzodioxol-5(7aH)-one [ACD/IUPAC Name]
7a-Allyl-6-(2,3-dihydroxy-3-méthylbutyl)-1,3-benzodioxol-5(7aH)-one [French] [ACD/IUPAC Name]
ILLIOLIGANONE B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 178.2±22.2 °C
Index of Refraction: 1.562
Molar Refractivity: 73.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 51.91
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.91
Polar Surface Area: 76 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 225.8±5.0 cm3

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