ChemSpider 2D Image | (2R,6R)-2,6-Dimethyltetrahydro-4H-pyran-4-one | C7H12O2

(2R,6R)-2,6-Dimethyltetrahydro-4H-pyran-4-one

  • Molecular FormulaC7H12O2
  • Average mass128.169 Da
  • Monoisotopic mass128.083725 Da
  • ChemSpider ID32076839

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,6R)-2,6-Dimethyltetrahydro-4H-pyran-4-on [German] [ACD/IUPAC Name]
(2R,6R)-2,6-Dimethyltetrahydro-4H-pyran-4-one [ACD/IUPAC Name]
(2R,6R)-2,6-Diméthyltétrahydro-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, tetrahydro-2,6-dimethyl-, (2R,6R)- [ACD/Index Name]
(2R,6r)-2,6-dimethyldihydro-2h-pyran-4(3h)-one
(2R,6R)-2,6-dimethyloxan-4-one
54513-59-6 [RN]
MFCD28126841
MFCD28127141
MFCD29037236
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 185.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.7±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.1±3.0 kJ/mol
    Flash Point: 65.5±13.9 °C
    Index of Refraction: 1.424
    Molar Refractivity: 34.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.57
    ACD/KOC (pH 5.5): 47.97
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.57
    ACD/KOC (pH 7.4): 47.97
    Polar Surface Area: 26 Å2
    Polarizability: 13.6±0.5 10-24cm3
    Surface Tension: 25.9±3.0 dyne/cm
    Molar Volume: 134.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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