ChemSpider 2D Image | [4-(2-Methyl-2-propanyl)-1-(1H-pyrrol-1-yl)cyclohexyl]acetic acid | C16H25NO2

[4-(2-Methyl-2-propanyl)-1-(1H-pyrrol-1-yl)cyclohexyl]acetic acid

  • Molecular FormulaC16H25NO2
  • Average mass263.375 Da
  • Monoisotopic mass263.188538 Da
  • ChemSpider ID29345256

More details:

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

[4-(2-Methyl-2-propanyl)-1-(1H-pyrrol-1-yl)cyclohexyl]acetic acid [ACD/IUPAC Name]
[4-(2-Methyl-2-propanyl)-1-(1H-pyrrol-1-yl)cyclohexyl]essigsäure [German] [ACD/IUPAC Name]
Acide [4-(2-méthyl-2-propanyl)-1-(1H-pyrrol-1-yl)cyclohexyl]acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-(1,1-dimethylethyl)-1-(1H-pyrrol-1-yl)- [ACD/Index Name]
(4-tert-Butyl-1-pyrrol-1-yl-cyclohexyl)-acetic acid
[4-tert-butyl-1-(1H-pyrrol-1-yl)cyclohexyl]acetic acid
[4-TERT-BUTYL-1-(PYRROL-1-YL)CYCLOHEXYL]ACETIC ACID
1797082-24-6 [RN]
2-(4-(tert-butyl)-1-(1H-pyrrol-1-yl)cyclohexyl)acetic acid
2-(4-tert-butyl-1-pyrrol-1-ylcyclohexyl)acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 402.5±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 197.3±21.2 °C
    Index of Refraction: 1.540
    Molar Refractivity: 77.4±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.35
    ACD/LogD (pH 5.5): 4.04
    ACD/BCF (pH 5.5): 436.61
    ACD/KOC (pH 5.5): 1556.04
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 6.94
    ACD/KOC (pH 7.4): 24.72
    Polar Surface Area: 42 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 38.7±7.0 dyne/cm
    Molar Volume: 246.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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