ChemSpider 2D Image | (S)-Ethyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate | C12H22O4

(S)-Ethyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate

  • Molecular FormulaC12H22O4
  • Average mass230.301 Da
  • Monoisotopic mass230.151810 Da
  • ChemSpider ID17207153

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Ethyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
1,3-Dioxolane-4-pentanoic acid, 2,2-dimethyl-, ethyl ester, (4S)- [ACD/Index Name]
1,3-Dioxolane-4-pentanoic acid, 2,2-dimethyl-, ethyl ester, (S)-
119392-31-3 [RN]
5-[(4S)-2,2-Diméthyl-1,3-dioxolan-4-yl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentanoate [ACD/IUPAC Name]
Ethyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentanoat [German] [ACD/IUPAC Name]
(S)-Ethyl5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
[119392-31-3] [RN]
ethyl (S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
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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: 277.5±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.6±3.0 kJ/mol
    Flash Point: 114.9±20.4 °C
    Index of Refraction: 1.434
    Molar Refractivity: 60.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.78
    ACD/KOC (pH 5.5): 529.05
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.78
    ACD/KOC (pH 7.4): 529.05
    Polar Surface Area: 45 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 33.5±3.0 dyne/cm
    Molar Volume: 232.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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