ChemSpider 2D Image | 5-[(2E,6E,10E)-12-Hydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10,14-hexadecatetraen-1-yl]-2,3-dimethyl-1,4-benzoquinone | C28H40O4

5-[(2E,6E,10E)-12-Hydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10,14-hexadecatetraen-1-yl]-2,3-dimethyl-1,4-benzoquinone

  • Molecular FormulaC28H40O4
  • Average mass440.615 Da
  • Monoisotopic mass440.292664 Da
  • ChemSpider ID35516704

  • Double-bond stereo - Double-bond stereo

More details:

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

2,5-Cyclohexadiene-1,4-dione, 5-[(2E,6E,10E)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10,14-hexadecatetraen-1-yl]-2,3-dimethyl- [ACD/Index Name]
5-[(2E,6E,10E)-12-Hydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10,14-hexadecatetraen-1-yl]-2,3-dimethyl-1,4-benzochinon [German] [ACD/IUPAC Name]
5-[(2E,6E,10E)-12-Hydroxy-11-(hydroxymethyl)-3,7,15-trimethyl-2,6,10,14-hexadecatetraen-1-yl]-2,3-dimethyl-1,4-benzoquinone [ACD/IUPAC Name]
5-[(2E,6E,10E)-12-Hydroxy-11-(hydroxyméthyl)-3,7,15-triméthyl-2,6,10,14-hexadécatétraén-1-yl]-2,3-diméthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 616.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 340.6±28.0 °C
Index of Refraction: 1.535
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36187.41
ACD/KOC (pH 5.5): 63767.48
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36187.41
ACD/KOC (pH 7.4): 63767.48
Polar Surface Area: 75 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 423.7±3.0 cm3

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