ChemSpider 2D Image | (6aR,10aR)-1-Hydroxy-6,6-bis[(~2~H_3_)methyl]-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one | C24H30D6O3

(6aR,10aR)-1-Hydroxy-6,6-bis[(2H3)methyl]-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one

  • Molecular FormulaC24H30D6O3
  • Average mass378.578 Da
  • Monoisotopic mass378.304108 Da
  • ChemSpider ID48062835

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6aR,10aR)-1-Hydroxy-6,6-bis[(2H3)methyl]-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-on [German] [ACD/IUPAC Name]
(6aR,10aR)-1-Hydroxy-6,6-bis[(2H3)methyl]-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one [ACD/IUPAC Name]
(6aR,10aR)-1-Hydroxy-6,6-bis[(2H3)méthyl]-3-(2-méthyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromén-9-one [French] [ACD/IUPAC Name]
9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-di(methyl-d3)-, (6aR,10aR)- [ACD/Index Name]
(6aR,10aR)-1-hydroxy-3-(2-methyloctan-2-yl)-6,6-bis(trideuteriomethyl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
1217858-47-3 [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: 457.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.5±3.0 kJ/mol
    Flash Point: 145.4±22.2 °C
    Index of Refraction: 1.517
    Molar Refractivity: 109.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.05
    ACD/LogD (pH 5.5): 7.20
    ACD/BCF (pH 5.5): 175300.05
    ACD/KOC (pH 5.5): 197272.84
    ACD/LogD (pH 7.4): 7.20
    ACD/BCF (pH 7.4): 174369.23
    ACD/KOC (pH 7.4): 196225.36
    Polar Surface Area: 47 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 361.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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