ChemSpider 2D Image | (3s,5s,7s)-3,5,7-Trimethyl-1-adamantanecarboxylic acid | C14H22O2

(3s,5s,7s)-3,5,7-Trimethyl-1-adamantanecarboxylic acid

  • Molecular FormulaC14H22O2
  • Average mass222.323 Da
  • Monoisotopic mass222.161987 Da
  • ChemSpider ID32697035

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-3,5,7-Trimethyl-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
(3s,5s,7s)-3,5,7-Trimethyl-1-adamantanecarboxylic acid [ACD/IUPAC Name]
Acide (3s,5s,7s)-3,5,7-triméthyl-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3,5,7-trimethyl- [ACD/Index Name]
15291-66-4 [RN]
3,5,7-TRIMETHYLADAMANTANE-1-CARBOXYLIC ACID

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 334.8±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±6.0 kJ/mol
    Flash Point: 160.0±13.7 °C
    Index of Refraction: 1.564
    Molar Refractivity: 62.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 181.03
    ACD/KOC (pH 5.5): 908.45
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 2.99
    ACD/KOC (pH 7.4): 15.03
    Polar Surface Area: 37 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 190.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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