ChemSpider 2D Image | (1R,3aR,7aR)-1-[(2S)-1,1-Dimethoxy-2-propanyl]-7a-methyloctahydro-4H-inden-4-one | C15H26O3

(1R,3aR,7aR)-1-[(2S)-1,1-Dimethoxy-2-propanyl]-7a-methyloctahydro-4H-inden-4-one

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID26574967

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3aR,7aR)-1-[(2S)-1,1-Dimethoxy-2-propanyl]-7a-methyloctahydro-4H-inden-4-on [German] [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2S)-1,1-Dimethoxy-2-propanyl]-7a-methyloctahydro-4H-inden-4-one [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2S)-1,1-Diméthoxy-2-propanyl]-7a-méthyloctahydro-4H-indén-4-one [French] [ACD/IUPAC Name]
4H-Inden-4-one, 1-[(1S)-2,2-dimethoxy-1-methylethyl]octahydro-7a-methyl-, (1R,3aR,7aR)- [ACD/Index Name]
(1R,#aR,7aR)-1-[(1S)-2,2-dimethoxy-1-methylethyl]-7-methyl-octahydro-4H-inden-4-one
(1R,3aR,7aR)-1-((S)-1,1-Dimethoxypropan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-one
(1R,3aR,7aR)-1-[(1S)-2,2-Dimethoxy-1-methylethyl]octahydro-7a-methyl-4H-inden-4-one
(1R,3aR,7aR)-1-[(2S)-1,1-dimethoxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
(1s,3ar,7ar)-1-(1,1-dimethoxypropan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-one
957214-01-6 [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: 320.1±12.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.2±3.0 kJ/mol
    Flash Point: 138.4±6.0 °C
    Index of Refraction: 1.479
    Molar Refractivity: 70.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.93
    ACD/KOC (pH 5.5): 327.62
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.93
    ACD/KOC (pH 7.4): 327.62
    Polar Surface Area: 36 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 34.4±3.0 dyne/cm
    Molar Volume: 250.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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