ChemSpider 2D Image | Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-{2-[2-(4-morpholinylmethyl)-3-furyl]ethyl}decahydro-1-naphthalenecarboxylate | C26H39NO4

Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-{2-[2-(4-morpholinylmethyl)-3-furyl]ethyl}decahydro-1-naphthalenecarboxylate

  • Molecular FormulaC26H39NO4
  • Average mass429.592 Da
  • Monoisotopic mass429.287903 Da
  • ChemSpider ID21522543

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,4aR,5S)-1,4a-Diméthyl-6-méthylène-5-{2-[2-(4-morpholinylméthyl)-3-furyl]éthyl}décahydro-1-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-[2-[2-(4-morpholinylmethyl)-3-furanyl]ethyl]-, methyl ester, (1S,4aR,5S)- [ACD/Index Name]
Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-{2-[2-(4-morpholinylmethyl)-3-furyl]ethyl}decahydro-1-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(1S,4aR,5S)-1,4a-dimethyl-6-methylen-5-{2-[2-(4-morpholinylmethyl)-3-furyl]ethyl}decahydro-1-naphthalincarboxylat [German] [ACD/IUPAC Name]
(1S,4aR,5S)-methyl 1,4a-dimethyl-6-methylene-5-(2-(2-(morpholinomethyl)furan-3-yl)ethyl)decahydronaphthalene-1-carboxylate
1212436-09-3 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 491.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.8±3.0 kJ/mol
    Flash Point: 251.2±28.7 °C
    Index of Refraction: 1.543
    Molar Refractivity: 122.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.53
    ACD/LogD (pH 5.5): 4.44
    ACD/BCF (pH 5.5): 893.64
    ACD/KOC (pH 5.5): 2650.54
    ACD/LogD (pH 7.4): 5.22
    ACD/BCF (pH 7.4): 5417.64
    ACD/KOC (pH 7.4): 16068.70
    Polar Surface Area: 52 Å2
    Polarizability: 48.4±0.5 10-24cm3
    Surface Tension: 43.9±5.0 dyne/cm
    Molar Volume: 387.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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