ChemSpider 2D Image | (1R,2S,3R,4S,1'R,2'S,3'R,4'S)-2,2'-[(1E,3E)-1,3-Butadiene-1,4-diylbis(oxy)]bis[3-(2,2-dimethylpropoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane] | C34H58O4

(1R,2S,3R,4S,1'R,2'S,3'R,4'S)-2,2'-[(1E,3E)-1,3-Butadiene-1,4-diylbis(oxy)]bis[3-(2,2-dimethylpropoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane]

  • Molecular FormulaC34H58O4
  • Average mass530.822 Da
  • Monoisotopic mass530.433533 Da
  • ChemSpider ID74102332

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3R,4S,1'R,2'S,3'R,4'S)-2,2'-[(1E,3E)-1,3-Butadien-1,4-diylbis(oxy)]bis[3-(2,2-dimethylpropoxy)-1,7,7-trimethylbicyclo[2.2.1]heptan] [German] [ACD/IUPAC Name]
(1R,2S,3R,4S,1'R,2'S,3'R,4'S)-2,2'-[(1E,3E)-1,3-Butadiene-1,4-diylbis(oxy)]bis[3-(2,2-dimethylpropoxy)-1,7,7-trimethylbicyclo[2.2.1]heptane] [ACD/IUPAC Name]
(1R,2S,3R,4S,1'R,2'S,3'R,4'S)-2,2'-[(1E,3E)-1,3-Butadiène-1,4-diylbis(oxy)]bis[3-(2,2-diméthylpropoxy)-1,7,7-triméthylbicyclo[2.2.1]heptane] [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane, 2,2'-[(1E,3E)-1,3-butadiene-1,4-diylbis(oxy)]bis[3-(2,2-dimethylpropoxy)-1,7,7-trimethyl-, (1R,2S,3R,4S,1'R,2'S,3'R,4'S)- [ACD/Index 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: 576.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 51.3±35.6 °C
Index of Refraction: 1.513
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 778879.81
ACD/KOC (pH 5.5): 573699.06
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 778879.81
ACD/KOC (pH 7.4): 573699.06
Polar Surface Area: 37 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 525.3±5.0 cm3

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