ChemSpider 2D Image | (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-Trimethyl-10-[(~2~H_3_)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane | C16H23D3O5

(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-Trimethyl-10-[(2H3)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

  • Molecular FormulaC16H23D3O5
  • Average mass301.393 Da
  • Monoisotopic mass301.196869 Da
  • ChemSpider ID48059115

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-Trimethyl-10-[(2H3)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-Trimethyl-10-[(2H3)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-Triméthyl-10-[(2H3)méthyloxy]-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécane [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-3,6,9-trimethyl-10-(methyl-d3-oxy)-, (3R,5aS,6R,8aS,9R,10R,12R,12aR)- [ACD/Index Name]
93861-34-8 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 357.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 57.9±3.0 kJ/mol
    Flash Point: 140.5±27.8 °C
    Index of Refraction: 1.518
    Molar Refractivity: 76.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 129.93
    ACD/KOC (pH 5.5): 1133.97
    ACD/LogD (pH 7.4): 3.08
    ACD/BCF (pH 7.4): 129.93
    ACD/KOC (pH 7.4): 1133.97
    Polar Surface Area: 46 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 40.0±5.0 dyne/cm
    Molar Volume: 252.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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