ChemSpider 2D Image | 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl(1,1-~2~H_2_)-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-(~2~H_3_)methyl-1,4-benzoquinone | C59H85D5O4

2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl(1,1-2H2)-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-(2H3)methyl-1,4-benzoquinone

  • Molecular FormulaC59H85D5O4
  • Average mass868.374 Da
  • Monoisotopic mass867.715271 Da
  • ChemSpider ID9182605

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl-1,1-d2]-5,6-dimethoxy-3-(methyl-d3)- [ACD/Index Name]
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl(1,1-2H2)-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-(2H3)methyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl(1,1-2H2)-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl]-5,6-dimethoxy-3-(2H3)methyl-1,4-benzoquinone [ACD/IUPAC Name]
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Décaméthyl(1,1-2H2)-2,6,10,14,18,22,26,30,34,38-tétracontadécaén-1-yl]-5,6-diméthoxy-3-(2H3)méthyl-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: 869.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 324.6±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 272.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 20.93
ACD/LogD (pH 5.5): 18.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 108.1±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 888.5±5.0 cm3

Click to predict properties on the Chemicalize site


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