ChemSpider 2D Image | (1R,2R,5R)-2-Isopropyl-5-methylcyclohexyl (2R)-2-hydroxypropanoate | C13H24O3

(1R,2R,5R)-2-Isopropyl-5-methylcyclohexyl (2R)-2-hydroxypropanoate

  • Molecular FormulaC13H24O3
  • Average mass228.328 Da
  • Monoisotopic mass228.172546 Da
  • ChemSpider ID73983344

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,5R)-2-Isopropyl-5-methylcyclohexyl (2R)-2-hydroxypropanoate [ACD/IUPAC Name]
(1R,2R,5R)-2-Isopropyl-5-methylcyclohexyl-(2R)-2-hydroxypropanoat [German] [ACD/IUPAC Name]
(2R)-2-Hydroxypropanoate de (1R,2R,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-hydroxy-, (1R,2R,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R)- [ACD/Index Name]
59259-38-0 [RN]
MFCD25372121

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 304.0±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±6.0 kJ/mol
    Flash Point: 116.0±13.2 °C
    Index of Refraction: 1.468
    Molar Refractivity: 63.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 195.66
    ACD/KOC (pH 5.5): 1520.10
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 195.66
    ACD/KOC (pH 7.4): 1520.09
    Polar Surface Area: 47 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 34.5±5.0 dyne/cm
    Molar Volume: 228.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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