ChemSpider 2D Image | (2E,4E,6E,8E)-9-[2,2-Dimethyl-6-(~2~H_3_)methyl(5,5-~2~H_2_)-7-oxabicyclo[4.1.0]hept-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraen-1-yl acetate | C22H27D5O3

(2E,4E,6E,8E)-9-[2,2-Dimethyl-6-(2H3)methyl(5,5-2H2)-7-oxabicyclo[4.1.0]hept-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraen-1-yl acetate

  • Molecular FormulaC22H27D5O3
  • Average mass349.518 Da
  • Monoisotopic mass349.266541 Da
  • ChemSpider ID58785619

  • 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,4E,6E,8E)-9-[2,2-Dimethyl-6-(2H3)methyl(5,5-2H2)-7-oxabicyclo[4.1.0]hept-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraen-1-yl acetate [ACD/IUPAC Name]
(2E,4E,6E,8E)-9-[2,2-Dimethyl-6-(2H3)methyl(5,5-2H2)-7-oxabicyclo[4.1.0]hept-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraen-1-yl-acetat [German] [ACD/IUPAC Name]
2,4,6,8-Nonatetraen-1-ol, 9-[2,2-dimethyl-6-(methyl-d3)-7-oxabicyclo[4.1.0]hept-1-yl-5,5-d2]-3,7-dimethyl-, acetate, (2E,4E,6E,8E)- [ACD/Index Name]
Acétate de (2E,4E,6E,8E)-9-[2,2-diméthyl-6-(2H3)méthyl(5,5-2H2)-7-oxabicyclo[4.1.0]hept-1-yl]-3,7-diméthyl-2,4,6,8-nonatétraén-1-yle [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: 433.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 164.8±6.7 °C
Index of Refraction: 1.550
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3487.07
ACD/KOC (pH 5.5): 11947.79
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3487.07
ACD/KOC (pH 7.4): 11947.79
Polar Surface Area: 39 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

Click to predict properties on the Chemicalize site


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