Found 4 results

Search term: XMDQJXIEKHMDMG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1-Methyl-6-oxabicyclo[3.1.0]hexane | C6H10O

(1S)-1-Methyl-6-oxabicyclo[3.1.0]hexane

  • Molecular FormulaC6H10O
  • Average mass98.143 Da
  • Monoisotopic mass98.073166 Da
  • ChemSpider ID57385830

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-1-Methyl-6-oxabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
(1S)-1-Methyl-6-oxabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1S)-1-Méthyl-6-oxabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.1.0]hexane, 1-methyl-, (1S)- [ACD/Index Name]
1957130-75-4 [RN]
MFCD29920678

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 112.5±8.0 °C at 760 mmHg
    Vapour Pressure: 25.6±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 33.7±3.0 kJ/mol
    Flash Point: 10.2±15.3 °C
    Index of Refraction: 1.498
    Molar Refractivity: 27.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.66
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.86
    ACD/KOC (pH 5.5): 91.55
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.86
    ACD/KOC (pH 7.4): 91.55
    Polar Surface Area: 13 Å2
    Polarizability: 10.8±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 93.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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