ChemSpider 2D Image | (1R,6S)-3-[(2R)-2-Oxiranyl]-7-oxabicyclo[4.1.0]heptane | C8H12O2

(1R,6S)-3-[(2R)-2-Oxiranyl]-7-oxabicyclo[4.1.0]heptane

  • Molecular FormulaC8H12O2
  • Average mass140.180 Da
  • Monoisotopic mass140.083725 Da
  • ChemSpider ID32079146

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,6S)-3-[(2R)-2-Oxiranyl]-7-oxabicyclo[4.1.0]heptan [German] [ACD/IUPAC Name]
(1R,6S)-3-[(2R)-2-Oxiranyl]-7-oxabicyclo[4.1.0]heptane [ACD/IUPAC Name]
(1R,6S)-3-[(2R)-2-Oxiranyl]-7-oxabicyclo[4.1.0]heptane [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptane, 3-[(2R)-oxiranyl]-, (1R,6S)- [ACD/Index Name]
(1R,6S)-3-((R)-oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
(1S,6R)-4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 227.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.5±3.0 kJ/mol
    Flash Point: 86.4±12.3 °C
    Index of Refraction: 1.547
    Molar Refractivity: 36.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): 0.76
    ACD/BCF (pH 5.5): 2.22
    ACD/KOC (pH 5.5): 61.63
    ACD/LogD (pH 7.4): 0.76
    ACD/BCF (pH 7.4): 2.22
    ACD/KOC (pH 7.4): 61.63
    Polar Surface Area: 25 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 114.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement