ChemSpider 2D Image | 4'-trans-Pentyl-[1,1'-bicyclohexyl]-4-one | C17H30O

4'-trans-Pentyl-[1,1'-bicyclohexyl]-4-one

  • Molecular FormulaC17H30O
  • Average mass250.419 Da
  • Monoisotopic mass250.229660 Da
  • ChemSpider ID24541558

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-on [German] [ACD/IUPAC Name]
(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one [ACD/IUPAC Name]
(1's,4'r)-4'-Pentyl-1,1'-bi(cyclohexyl)-4-one [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-one, 4'-pentyl-. trans- [ACD/Index Name]
4-(trans-4-Pentylcyclohexyl)cyclohexanone
4'-trans-Pentyl-[1,1'-bicyclohexyl]-4-one [ACD/IUPAC Name]
6504983 [Beilstein]
84868-02-0 [RN]
L6VTJ D- AL6TJ D5 &&trans Form [WLN]
4-(trans-4-n-pentylcyclohexyl)cyclohexanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 341.6±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.5±3.0 kJ/mol
    Flash Point: 152.6±11.3 °C
    Index of Refraction: 1.480
    Molar Refractivity: 76.7±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.93
    ACD/LogD (pH 5.5): 5.50
    ACD/BCF (pH 5.5): 8888.52
    ACD/KOC (pH 5.5): 23343.29
    ACD/LogD (pH 7.4): 5.50
    ACD/BCF (pH 7.4): 8888.52
    ACD/KOC (pH 7.4): 23343.29
    Polar Surface Area: 17 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 33.7±3.0 dyne/cm
    Molar Volume: 270.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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