ChemSpider 2D Image | 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl]bis[6,6-dimethyl-2-(~2~H_3_)methyl(3,3-~2~H_2_)cyclohex ene] | C50H58D10

1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl]bis[6,6-dimethyl-2-(2H3)methyl(3,3-2H2)cyclohex ene]

  • Molecular FormulaC50H58D10
  • Average mass679.136 Da
  • Monoisotopic mass678.594849 Da
  • ChemSpider ID58778456

  • 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

1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaen-1,26-diyl]bis[6,6-dimethyl-2-(2H3)methyl(3,3-2H2)cyclohexe ;n] [German] [ACD/IUPAC Name]
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl]bis[6,6-dimethyl-2-(2H3)methyl(3,3-2H2)cyclohex ene] [ACD/IUPAC Name]
1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexaméthyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridécaène-1,26-diyl]bis[6,6-diméthyl-2-(2H3)méthyl(3,3-2H2)cyclohex ène] [French] [ACD/IUPAC Name]
Cyclohexene-3,3-d2, 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl]bis[6,6-dimethyl-2-(methyl-d3)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 771.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±0.8 kJ/mol
Flash Point: 418.8±18.6 °C
Index of Refraction: 1.568
Molar Refractivity: 232.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 18.79
ACD/LogD (pH 5.5): 16.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 709.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement