ChemSpider 2D Image | STIRIPENTOL-D9 | C14H9D9O3

STIRIPENTOL-D9

  • Molecular FormulaC14H9D9O3
  • Average mass243.346 Da
  • Monoisotopic mass243.182083 Da
  • ChemSpider ID28573498

  • 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

(1E)-1-(1,3-Benzodioxol-5-yl)-4,4-bis[(2H3)methyl](5,5,5-2H3)-1-penten-3-ol [German] [ACD/IUPAC Name]
(1E)-1-(1,3-Benzodioxol-5-yl)-4,4-bis[(2H3)methyl](5,5,5-2H3)-1-penten-3-ol [ACD/IUPAC Name]
(1E)-1-(1,3-Benzodioxol-5-yl)-4,4-bis[(2H3)méthyl](5,5,5-2H3)-1-pentén-3-ol [French] [ACD/IUPAC Name]
1185239-64-8 [RN]
1-Penten-5,5,5-d3-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-di(methyl-d3)-, (1E)- [ACD/Index Name]
STIRIPENTOL-D9
(E)-1-(1,3-benzodioxol-5-yl)-5,5,5-trideuterio-4,4-bis(trideuteriomethyl)pent-1-en-3-ol
1262794-72-8 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 365.4±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 174.8±19.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 68.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 2.80
    ACD/BCF (pH 5.5): 79.43
    ACD/KOC (pH 5.5): 797.30
    ACD/LogD (pH 7.4): 2.80
    ACD/BCF (pH 7.4): 79.43
    ACD/KOC (pH 7.4): 797.30
    Polar Surface Area: 39 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 205.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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