ChemSpider 2D Image | (4bR,10aR,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione | C19H24O3

(4bR,10aR,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione

  • Molecular FormulaC19H24O3
  • Average mass300.392 Da
  • Monoisotopic mass300.172546 Da
  • ChemSpider ID22875211

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4bR,10aR,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromen-2,8(4bH)-dion [German] [ACD/IUPAC Name]
(4bR,10aR,12aS)-10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione [ACD/IUPAC Name]
(4bR,10aR,12aS)-10a,12a-Diméthyl-3,4,4a,5,6,10a,10b,11,12,12a-décahydro-2H-naphto[2,1-f]chromène-2,8(4bH)-dione [French] [ACD/IUPAC Name]
2H-Phenanthro[2,1-b]pyran-2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, (4bR,10aR,12aS)- [ACD/Index Name]
(4bR,10aR,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 482.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 213.4±28.8 °C
    Index of Refraction: 1.567
    Molar Refractivity: 83.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 127.72
    ACD/KOC (pH 5.5): 1120.14
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 127.72
    ACD/KOC (pH 7.4): 1120.14
    Polar Surface Area: 43 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 45.1±5.0 dyne/cm
    Molar Volume: 255.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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