ChemSpider 2D Image | 6-[(1E)-3-Hydroxy-3-methyl-1-buten-1-yl]-5-methoxy-2,2-dimethyl-2H,8H-pyrano[2,3-f]chromen-8-one | C20H22O5

6-[(1E)-3-Hydroxy-3-methyl-1-buten-1-yl]-5-methoxy-2,2-dimethyl-2H,8H-pyrano[2,3-f]chromen-8-one

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID23314529
  • Double-bond stereo - Double-bond stereo


More details:






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

2H,8H-Benzo[1,2-b:3,4-b']dipyran-8-one, 6-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-5-methoxy-2,2-dimethyl- [ACD/Index Name]
6-[(1E)-3-Hydroxy-3-methyl-1-buten-1-yl]-5-methoxy-2,2-dimethyl-2H,8H-pyrano[2,3-f]chromen-8-on [German] [ACD/IUPAC Name]
6-[(1E)-3-Hydroxy-3-methyl-1-buten-1-yl]-5-methoxy-2,2-dimethyl-2H,8H-pyrano[2,3-f]chromen-8-one [ACD/IUPAC Name]
6-[(1E)-3-Hydroxy-3-méthyl-1-butén-1-yl]-5-méthoxy-2,2-diméthyl-2H,8H-pyrano[2,3-f]chromén-8-one [French] [ACD/IUPAC Name]
6-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-5-methoxy-2,2-dimethyl-2H,8H-pyrano[2,3-f]chromen-8-one
avicennol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 194.3±23.6 °C
Index of Refraction: 1.594
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 722.12
ACD/KOC (pH 5.5): 3870.75
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 722.12
ACD/KOC (pH 7.4): 3870.75
Polar Surface Area: 65 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 282.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement