ChemSpider 2D Image | 8-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5,7-dimethoxy-2H-chromen-2-one | C21H26O5

8-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5,7-dimethoxy-2H-chromen-2-one

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID28424271
  • Double-bond stereo - Double-bond stereo


More details:






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

2H-1-Benzopyran-2-one, 8-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-5,7-dimethoxy- [ACD/Index Name]
8-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5,7-dimethoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5,7-dimethoxy-2H-chromen-2-one [ACD/IUPAC Name]
8-{[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]oxy}-5,7-diméthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
[1228175-65-2]
1228175-65-2 [RN]
8-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-5,7-dimethoxy-2H-chromen-2-one
8-[(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)OXY]-5,7-DIMETHOXYCHROMEN-2-ONE
8-Geranyloxy-5,7-dimethoxycoumarin
MFCD20260380

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

Density: 1.1±0.1 g/cm3
Boiling Point: 517.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 225.3±30.2 °C
Index of Refraction: 1.537
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7351.34
ACD/KOC (pH 5.5): 20376.80
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7351.34
ACD/KOC (pH 7.4): 20376.80
Polar Surface Area: 54 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

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