ChemSpider 2D Image | (2E)-3-Methyl-7-(~2~H_3_)methyl(8,8,8-~2~H_3_)-2,6-octadien-1-ol | C10H12D6O

(2E)-3-Methyl-7-(2H3)methyl(8,8,8-2H3)-2,6-octadien-1-ol

  • Molecular FormulaC10H12D6O
  • Average mass160.286 Da
  • Monoisotopic mass160.173431 Da
  • ChemSpider ID48059972

  • 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

(2E)-3-Methyl-7-(2H3)methyl(8,8,8-2H3)-2,6-octadien-1-ol [German] [ACD/IUPAC Name]
(2E)-3-Methyl-7-(2H3)methyl(8,8,8-2H3)-2,6-octadien-1-ol [ACD/IUPAC Name]
(2E)-3-Méthyl-7-(2H3)méthyl(8,8,8-2H3)-2,6-octadién-1-ol [French] [ACD/IUPAC Name]
2,6-Octadien-8,8,8-d3-1-ol, 3-methyl-7-(methyl-d3)-, (2E)- [ACD/Index Name]
66063-44-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 229.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.2±6.0 kJ/mol
Flash Point: 76.7±0.0 °C
Index of Refraction: 1.471
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.66
ACD/KOC (pH 5.5): 1704.82
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.66
ACD/KOC (pH 7.4): 1704.82
Polar Surface Area: 20 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 177.9±3.0 cm3

Click to predict properties on the Chemicalize site


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