ChemSpider 2D Image | (2E,4E)-3-Methyl-5-{2,3,6-trimethyl-4-[(~2~H_3_)methyloxy]phenyl}-2,4-pentadienal | C16H17D3O2

(2E,4E)-3-Methyl-5-{2,3,6-trimethyl-4-[(2H3)methyloxy]phenyl}-2,4-pentadienal

  • Molecular FormulaC16H17D3O2
  • Average mass247.347 Da
  • Monoisotopic mass247.165161 Da
  • ChemSpider ID48061639

  • 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)-3-Methyl-5-{2,3,6-trimethyl-4-[(2H3)methyloxy]phenyl}-2,4-pentadienal [German] [ACD/IUPAC Name]
(2E,4E)-3-Methyl-5-{2,3,6-trimethyl-4-[(2H3)methyloxy]phenyl}-2,4-pentadienal [ACD/IUPAC Name]
(2E,4E)-3-Méthyl-5-{2,3,6-triméthyl-4-[(2H3)méthyloxy]phényl}-2,4-pentadiénal [French] [ACD/IUPAC Name]
2,4-Pentadienal, 3-methyl-5-[2,3,6-trimethyl-4-(methyl-d3-oxy)phenyl]-, (2E,4E)- [ACD/Index Name]
(2E,4E)-3-methyl-5-[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]penta-2,4-dienal
(4e)-5-(4-methoxy-d3-2,3,6-trimethylphenyl)-3-methyl-2,4-pentadienal
1185247-91-9 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 401.9±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 175.0±18.9 °C
    Index of Refraction: 1.548
    Molar Refractivity: 77.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 443.27
    ACD/KOC (pH 5.5): 2729.52
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 443.27
    ACD/KOC (pH 7.4): 2729.52
    Polar Surface Area: 26 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 34.8±3.0 dyne/cm
    Molar Volume: 243.5±3.0 cm3

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