ChemSpider 2D Image | 2-(~2~H_3_)Methyl-3-[(2E,6E,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,4-(~2~H_4_)naphthalenedione | C31H33D7O2

2-(2H3)Methyl-3-[(2E,6E,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,4-(2H4)naphthalenedione

  • Molecular FormulaC31H33D7O2
  • Average mass451.691 Da
  • Monoisotopic mass451.346771 Da
  • ChemSpider ID107434141

  • 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

1,4-Naphthalenedione-5,6,7,8-d4, 2-(methyl-d3)-3-[(2E,6E,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]- [ACD/Index Name]
2-(2H3)Méthyl-3-[(2E,6E,10Z)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]-1,4-(2H4)naphtalènedione [French] [ACD/IUPAC Name]
2-(2H3)Methyl-3-[(2E,6E,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,4-(2H4)naphthalenedione [ACD/IUPAC Name]
2-(2H3)Methyl-3-[(2E,6E,10Z)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-1,4-(2H4)naphthalindion [German] [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: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 208.3±27.1 °C
Index of Refraction: 1.539
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 10.94
ACD/LogD (pH 5.5): 9.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3722712.00
ACD/LogD (pH 7.4): 9.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3722712.00
Polar Surface Area: 34 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

Click to predict properties on the Chemicalize site


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