ChemSpider 2D Image | 5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1-isoindolinone | C27H33NO3

5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1-isoindolinone

  • Molecular FormulaC27H33NO3
  • Average mass419.556 Da
  • Monoisotopic mass419.246033 Da
  • ChemSpider ID28289462

  • Double-bond stereo - Double-bond stereo

More details:

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140381-53-9 [RN]
1H-Isoindol-1-one, 5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)- [ACD/Index Name]
5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1H-isoindol-1-one
5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1-isoindolinon [German] [ACD/IUPAC Name]
5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-1-isoindolinone [ACD/IUPAC Name]
5-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-4-hydroxy-6-méthoxy-2-(2-phényléthyl)-1-isoindolinone [French] [ACD/IUPAC Name]
isohericerin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17663.28
ACD/KOC (pH 5.5): 38151.99
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16382.14
ACD/KOC (pH 7.4): 35384.79
Polar Surface Area: 50 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

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