ChemSpider 2D Image | 9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one | C21H22O6

9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID58820269

More details:

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

7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-6-hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]- [ACD/Index Name]
9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
9-{[(2E)-6-Hydroperoxy-3,7-dimethyl-2,7-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
9-{[(2E)-6-Hydroperoxy-3,7-diméthyl-2,7-octadién-1-yl]oxy}-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
151121-39-0 [RN]
9-[(6-HYDROPEROXY-3,7-DIMETHYLOCTA-2,7-DIEN-1-YL)OXY]-7H-FURO[3,2-G]CHROMEN-7-ONE
9-[(6-HYDROPEROXY-3,7-DIMETHYLOCTA-2,7-DIEN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.5±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2020.67
ACD/KOC (pH 5.5): 8084.81
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2020.36
ACD/KOC (pH 7.4): 8083.58
Polar Surface Area: 78 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

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