ChemSpider 2D Image | Futoquinol | C21H22O5

Futoquinol

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID29365186
  • 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

(4S)-2-Allyl-4-[(1E)-1-(1,3-benzodioxol-5-yl)-1-propen-2-yl]-4,5-dimethoxy-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(4S)-2-Allyl-4-[(1E)-1-(1,3-benzodioxol-5-yl)-1-propen-2-yl]-4,5-dimethoxy-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
(4S)-2-Allyl-4-[(1E)-1-(1,3-benzodioxol-5-yl)-1-propén-2-yl]-4,5-diméthoxy-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,5-Cyclohexadien-1-one, 4-[(E)-2-(1,3-benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)-, (4S)- [ACD/Index Name]
28178-92-9 [RN]
Futoquinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 225.5±30.2 °C
Index of Refraction: 1.582
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 728.63
ACD/KOC (pH 5.5): 3895.69
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 728.63
ACD/KOC (pH 7.4): 3895.69
Polar Surface Area: 54 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

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