ChemSpider 2D Image | Methyl (1S,4aR,5S)-5-[2-(2-formyl-3-furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate | C22H30O4

Methyl (1S,4aR,5S)-5-[2-(2-formyl-3-furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID22870946

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,4aR,5S)-5-[2-(2-Formyl-3-furyl)éthyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-(2-formyl-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1S,4aR,5S)- [ACD/Index Name]
Methyl (1S,4aR,5S)-5-[2-(2-formyl-3-furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(1S,4aR,5S)-5-[2-(2-formyl-3-furyl)ethyl]-1,4a-dimethyl-6-methylendecahydro-1-naphthalincarboxylat [German] [ACD/IUPAC Name]
(1S,4aR,5S)-methyl 5-(2-(2-formylfuran-3-yl)ethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylate
1214629-61-4 [RN]
methyl (1S,4aR,5S)-5-[2-(2-formylfuran-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 450.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 226.3±28.7 °C
    Index of Refraction: 1.527
    Molar Refractivity: 100.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.92
    ACD/LogD (pH 5.5): 5.55
    ACD/BCF (pH 5.5): 9800.68
    ACD/KOC (pH 5.5): 25034.04
    ACD/LogD (pH 7.4): 5.55
    ACD/BCF (pH 7.4): 9800.68
    ACD/KOC (pH 7.4): 25034.04
    Polar Surface Area: 57 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 41.6±5.0 dyne/cm
    Molar Volume: 325.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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