ChemSpider 2D Image | (3aS,4S,5S,6R,7aS)-4-(Ethoxycarbonyl)-6-ethyl-1-oxooctahydro-1H-indene-5-carboxylic acid | C15H22O5

(3aS,4S,5S,6R,7aS)-4-(Ethoxycarbonyl)-6-ethyl-1-oxooctahydro-1H-indene-5-carboxylic acid

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID29211994

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4S,5S,6R,7aS)-4-(Ethoxycarbonyl)-6-ethyl-1-oxooctahydro-1H-inden-5-carbonsäure [German] [ACD/IUPAC Name]
(3aS,4S,5S,6R,7aS)-4-(Ethoxycarbonyl)-6-ethyl-1-oxooctahydro-1H-indene-5-carboxylic acid [ACD/IUPAC Name]
130274-13-4 [RN]
1H-Indene-4,5-dicarboxylic acid, 6-ethyloctahydro-1-oxo-, 4-ethyl ester, (3aS,4S,5S,6R,7aS)- [ACD/Index Name]
Acide (3aS,4S,5S,6R,7aS)-4-(éthoxycarbonyl)-6-éthyl-1-oxooctahydro-1H-indène-5-carboxylique [French] [ACD/IUPAC Name]
CS-13889
MFCD22124667

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 431.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±6.0 kJ/mol
    Flash Point: 156.8±22.2 °C
    Index of Refraction: 1.498
    Molar Refractivity: 70.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.54
    ACD/KOC (pH 5.5): 20.34
    ACD/LogD (pH 7.4): -0.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 241.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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