ChemSpider 2D Image | 1-Hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone | C25H33NO3

1-Hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID28286034
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



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

1-Hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-chinolinon [German] [ACD/IUPAC Name]
1-Hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-2-méthyl-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
1-Hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 1-hydroxy-3-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl- [ACD/Index Name]
aurachin RE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 5082.64
ACD/KOC (pH 5.5): 11830.86
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 102.50
ACD/KOC (pH 7.4): 238.59
Polar Surface Area: 61 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

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