ChemSpider 2D Image | (5R,6R)-2,2-Dimethyl-1,3-dioxepane-5,6-diol | C7H14O4

(5R,6R)-2,2-Dimethyl-1,3-dioxepane-5,6-diol

  • Molecular FormulaC7H14O4
  • Average mass162.184 Da
  • Monoisotopic mass162.089203 Da
  • ChemSpider ID27730523

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6R)-2,2-Dimethyl-1,3-dioxepan-5,6-diol [German] [ACD/IUPAC Name]
(5R,6R)-2,2-Dimethyl-1,3-dioxepane-5,6-diol [ACD/IUPAC Name]
(5R,6R)-2,2-Diméthyl-1,3-dioxépane-5,6-diol [French] [ACD/IUPAC Name]
1,3-Dioxepane-5,6-diol, 2,2-dimethyl-, (5R,6R)- [ACD/Index Name]
[1151512-26-3] [RN]
1151512-26-3 [RN]
115151-22-9 [RN]
MFCD12198132

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 273.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±6.0 kJ/mol
    Flash Point: 119.0±25.9 °C
    Index of Refraction: 1.471
    Molar Refractivity: 38.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.34
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.74
    ACD/LogD (pH 7.4): -0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.74
    Polar Surface Area: 59 Å2
    Polarizability: 15.4±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 138.7±3.0 cm3

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