ChemSpider 2D Image | (2S)-2-[(1R,3aR,7aR)-7a-Methyl-4-oxooctahydro-1H-inden-1-yl]propyl acetate | C15H24O3

(2S)-2-[(1R,3aR,7aR)-7a-Methyl-4-oxooctahydro-1H-inden-1-yl]propyl acetate

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID29303281

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-[(1R,3aR,7aR)-7a-Methyl-4-oxooctahydro-1H-inden-1-yl]propyl acetate [ACD/IUPAC Name]
(2S)-2-[(1R,3aR,7aR)-7a-Methyl-4-oxooctahydro-1H-inden-1-yl]propyl-acetat [German] [ACD/IUPAC Name]
4H-Inden-4-one, 1-[(1S)-2-(acetyloxy)-1-methylethyl]octahydro-7a-methyl-, (1R,3aR,7aR)- [ACD/Index Name]
Acétate de (2S)-2-[(1R,3aR,7aR)-7a-méthyl-4-oxooctahydro-1H-indén-1-yl]propyle [French] [ACD/IUPAC Name]
(2S)-2-[(1R,3aR,7aR)-7a-methyl-4-oxo-octahydro-1H-inden-1-yl]propyl acetate
(s)-2-((1r,3ar,7ar)-3a,7a-dimethyl-4-oxooctahydro-1h-inden-1-yl)propyl acetate
(S)-2-((1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl)propyl acetate
[1R-[1α(S*),3aβ,7aα]]-1-[2-(Acetyloxy)-1-methylethyl]octahydro-7a-methyl-4H-inden-4-one
141411-00-9 [RN]
MFCD16039214

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 333.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 142.6±20.4 °C
    Index of Refraction: 1.487
    Molar Refractivity: 69.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 45.87
    ACD/KOC (pH 5.5): 538.17
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 45.87
    ACD/KOC (pH 7.4): 538.17
    Polar Surface Area: 43 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 240.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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