ChemSpider 2D Image | IX0PRH184P | C13H20O2

IX0PRH184P

  • Molecular FormulaC13H20O2
  • Average mass208.297 Da
  • Monoisotopic mass208.146332 Da
  • ChemSpider ID28190812

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acrylate [ACD/IUPAC Name]
(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
Acrylate de (1R,2R,4R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
IX0PRH184P
UNII:IX0PRH184P
(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acrylate
(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate
(1R,2R,4R)-rel-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acrylate
[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] prop-2-enoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC04975273 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 244.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.2±3.0 kJ/mol
    Flash Point: 94.6±16.1 °C
    Index of Refraction: 1.491
    Molar Refractivity: 59.7±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 532.80
    ACD/KOC (pH 5.5): 3113.71
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 532.80
    ACD/KOC (pH 7.4): 3113.71
    Polar Surface Area: 26 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 33.0±5.0 dyne/cm
    Molar Volume: 206.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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