ChemSpider 2D Image | 7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone | C22H26O5

7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone

  • Molecular FormulaC22H26O5
  • Average mass370.439 Da
  • Monoisotopic mass370.178009 Da
  • ChemSpider ID28287827

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

1,4-Naphthalenedione, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-5-hydroxy-2-methoxy-6-methyl- [ACD/Index Name]
7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-hydroxy-2-methoxy-6-methyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone [ACD/IUPAC Name]
7-{[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]oxy}-5-hydroxy-2-méthoxy-6-méthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
flaviogeranin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 200.8±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 5959.22
ACD/KOC (pH 5.5): 16760.13
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 480.46
ACD/KOC (pH 7.4): 1351.28
Polar Surface Area: 73 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

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