ChemSpider 2D Image | (1r,1'r,4S,4'S)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-carboxylic acid | C15H26O2

(1r,1'r,4S,4'S)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-carboxylic acid

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID24751287

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,1'r,4S,4'S)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-carbonsäure [German] [ACD/IUPAC Name]
(1r,1'r,4S,4'S)-4'-Ethyl-1,1'-bi(cyclohexyl)-4-carboxylic acid [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-ethyl- [ACD/Index Name]
84976-67-0 [RN]
Acide (1r,1'r,4S,4'S)-4'-éthyl-1,1'-bi(cyclohexyl)-4-carboxylique [French] [ACD/IUPAC Name]
(TRANS,TRANS)-4-ETHYL-[1,1-BICYCLOHEXYL]-4-CARBOXYLICACID
4-(4-ethylcyclohexyl)cyclohexanecarboxylic acid
MFCD05864406
trans,trans-4-ethylbicyclohexyl-4-carboxylic acid
Trans-4-(trans-4ethylcyclohexyl)cyclohexyl carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 355.8±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±6.0 kJ/mol
    Flash Point: 171.3±13.7 °C
    Index of Refraction: 1.494
    Molar Refractivity: 68.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.35
    ACD/LogD (pH 5.5): 4.26
    ACD/BCF (pH 5.5): 693.97
    ACD/KOC (pH 5.5): 2383.75
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 11.50
    ACD/KOC (pH 7.4): 39.50
    Polar Surface Area: 37 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 37.7±3.0 dyne/cm
    Molar Volume: 236.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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