ChemSpider 2D Image | 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE | C43H64O2

5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE

  • Molecular FormulaC43H64O2
  • Average mass612.967 Da
  • Monoisotopic mass612.490601 Da
  • ChemSpider ID4573176

  • 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,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-2,3-dimethyl- [ACD/Index Name]
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-2,3-dimethyl-1,4-benzochinon [German] [ACD/IUPAC Name]
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-2,3-dimethyl-1,4-benzoquinone [ACD/IUPAC Name]
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptaméthyl-2,6,10,14,18,22,26-octacosaheptaén-1-yl]-2,3-diméthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE
PQ9

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

Density: 0.9±0.1 g/cm3
Boiling Point: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 243.5±28.5 °C
Index of Refraction: 1.516
Molar Refractivity: 198.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 16.11
ACD/LogD (pH 5.5): 14.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 34 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 656.2±3.0 cm3

Click to predict properties on the Chemicalize site


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