ChemSpider 2D Image | 4-{[(2E,5S)-5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one | C21H22O5

4-{[(2E,5S)-5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID24741740

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(2E,5S)-5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
4-{[(2E,5S)-5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
4-{[(2E,5S)-5-Hydroxy-3,7-diméthyl-2,6-octadién-1-yl]oxy}-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E,5S)-5-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]oxy]- [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: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 744.25
ACD/KOC (pH 5.5): 3955.28
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 744.25
ACD/KOC (pH 7.4): 3955.28
Polar Surface Area: 69 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 291.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement