ChemSpider 2D Image | (2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)undecanoic acid | C16H31NO4

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)undecanoic acid

  • Molecular FormulaC16H31NO4
  • Average mass301.422 Da
  • Monoisotopic mass301.225311 Da
  • ChemSpider ID57425397

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)undecanoic acid [ACD/IUPAC Name]
(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)undecansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)undécanoïque [French] [ACD/IUPAC Name]
Undecanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)- [ACD/Index Name]
(2R)-2-(Boc-amino)undecanoic acid
(R)-2-[(t-Butoxycarbonyl)amino]undecanoic acid
1821828-34-5 [RN]
Boc-D-Aund(2)-OH

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 429.8±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±6.0 kJ/mol
    Flash Point: 213.7±24.0 °C
    Index of Refraction: 1.466
    Molar Refractivity: 83.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 5.35
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 43.65
    ACD/KOC (pH 5.5): 149.30
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 1.17
    ACD/KOC (pH 7.4): 4.01
    Polar Surface Area: 76 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 36.2±3.0 dyne/cm
    Molar Volume: 300.0±3.0 cm3

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