ChemSpider 2D Image | tert-Butyl 2-((4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate | C14H23NO4

tert-Butyl 2-((4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

  • Molecular FormulaC14H23NO4
  • Average mass269.337 Da
  • Monoisotopic mass269.162720 Da
  • ChemSpider ID28469221

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4S,6R)-6-(Cyanométhyl)-2,2-diméthyl-1,3-dioxan-4-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6R)- [ACD/Index Name]
186508-95-2 [RN]
2-Methyl-2-propanyl [(4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(4S,6R)-6-(cyanmethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetat [German] [ACD/IUPAC Name]
tert-Butyl 2-((4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
(4S,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester
(4S,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-aceticAcidtert-ButylEster
[186508-95-2] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 364.1±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.0±3.0 kJ/mol
    Flash Point: 159.2±11.2 °C
    Index of Refraction: 1.440
    Molar Refractivity: 69.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 20.85
    ACD/KOC (pH 5.5): 306.09
    ACD/LogD (pH 7.4): 2.04
    ACD/BCF (pH 7.4): 20.85
    ACD/KOC (pH 7.4): 306.09
    Polar Surface Area: 69 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 35.7±3.0 dyne/cm
    Molar Volume: 265.0±3.0 cm3

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