ChemSpider 2D Image | 6-[(2Z)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-1-isoindolinone | C27H31NO4

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

  • Molecular FormulaC27H31NO4
  • Average mass433.539 Da
  • Monoisotopic mass433.225311 Da
  • ChemSpider ID30777163

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Isoindol-1-one, 6-[(2Z)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-2,3-dihydro-7-hydroxy-5-methoxy-2-(2-phenylethyl)- [ACD/Index Name]
6-[(2Z)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-1-isoindolinon [German] [ACD/IUPAC Name]
6-[(2Z)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-1-isoindolinone [ACD/IUPAC Name]
6-[(2Z)-3,7-Diméthyl-5-oxo-2,6-octadién-1-yl]-7-hydroxy-5-méthoxy-2-(2-phényléthyl)-1-isoindolinone [French] [ACD/IUPAC Name]
126654-53-3 [RN]
6-[(2Z)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one
6-[(2Z)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
Hericenone B

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3809.19
ACD/KOC (pH 5.5): 12714.84
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 2974.56
ACD/KOC (pH 7.4): 9928.90
Polar Surface Area: 67 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

Click to predict properties on the Chemicalize site


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