ChemSpider 2D Image | (R)-4-(tert-Butoxy)-2-(cyclohexylmethyl)-4-oxobutanoic acid | C15H26O4

(R)-4-(tert-Butoxy)-2-(cyclohexylmethyl)-4-oxobutanoic acid

  • Molecular FormulaC15H26O4
  • Average mass270.365 Da
  • Monoisotopic mass270.183105 Da
  • ChemSpider ID32865283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(Cyclohexylmethyl)-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid [ACD/IUPAC Name]
(2R)-2-(Cyclohexylmethyl)-4-[(2-methyl-2-propanyl)oxy]-4-oxobutansäure [German] [ACD/IUPAC Name]
(R)-4-(tert-Butoxy)-2-(cyclohexylmethyl)-4-oxobutanoic acid
168681-96-7 [RN]
Acide (2R)-2-(cyclohexylméthyl)-4-[(2-méthyl-2-propanyl)oxy]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(cyclohexylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)- [ACD/Index Name]
(R)-4-tert-butoxy-2-(cyclohexylmethyl)-4-oxobutanoic acid
MFCD09910078

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 390.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 70.2±6.0 kJ/mol
    Flash Point: 135.9±16.7 °C
    Index of Refraction: 1.475
    Molar Refractivity: 72.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 51.35
    ACD/KOC (pH 5.5): 289.38
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.57
    Polar Surface Area: 64 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 38.2±3.0 dyne/cm
    Molar Volume: 258.1±3.0 cm3

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