ChemSpider 2D Image | (2R,6aS,11aS)-2-Isopropenyl-9,10-dimethoxy-1,2,6a,11a-tetrahydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene | C22H22O5

(2R,6aS,11aS)-2-Isopropenyl-9,10-dimethoxy-1,2,6a,11a-tetrahydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene

  • Molecular FormulaC22H22O5
  • Average mass366.407 Da
  • Monoisotopic mass366.146729 Da
  • ChemSpider ID25053773

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,6aS,11aS)-2-Isopropenyl-9,10-dimethoxy-1,2,6a,11a-tetrahydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromen [German] [ACD/IUPAC Name]
(2R,6aS,11aS)-2-Isopropenyl-9,10-dimethoxy-1,2,6a,11a-tetrahydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene [ACD/IUPAC Name]
(2R,6aS,11aS)-2-Isopropényl-9,10-diméthoxy-1,2,6a,11a-tétrahydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromène [French] [ACD/IUPAC Name]
6H-Benzofuro[3,2-c]furo[3,2-g][1]benzopyran, 1,2,6a,11a-tetrahydro-9,10-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 463.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 187.3±28.6 °C
Index of Refraction: 1.592
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 636.60
ACD/KOC (pH 5.5): 3536.78
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 636.60
ACD/KOC (pH 7.4): 3536.78
Polar Surface Area: 46 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

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