ChemSpider 2D Image | Methyl 3-[6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyl-1-[(5E)-6-methyl-7-oxo-5-hepten-2-yl]decahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl]propanoate | C31H48O4

Methyl 3-[6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyl-1-[(5E)-6-methyl-7-oxo-5-hepten-2-yl]decahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl]propanoate

  • Molecular FormulaC31H48O4
  • Average mass484.710 Da
  • Monoisotopic mass484.355255 Da
  • ChemSpider ID24620251

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1H-Cyclopenta[a]cyclopropa[e]naphthalene-6a(7H)-propanoic acid, 1-[(4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]decahydro-6-[1-(hydroxymethyl)ethenyl]-3a,9a-dimethyl-, methyl ester [ACD/Index Name]
3-[6-(3-Hydroxy-1-propén-2-yl)-3a,9a-diméthyl-1-[(5E)-6-méthyl-7-oxo-5-heptén-2-yl]décahydro-1H-cyclopenta[a]cyclopropa[e]naphtalén-6a(7H)-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyl-1-[(5E)-6-methyl-7-oxo-5-hepten-2-yl]decahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyl-1-[(5E)-6-methyl-7-oxo-5-hepten-2-yl]decahydro-1H-cyclopenta[a]cyclopropa[e]naphthalin-6a(7H)-yl]propanoat [German] [ACD/IUPAC Name]
[1154518-97-4] [RN]
1154518-97-4 [RN]
MFCD20260752
Sootepin D

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 574.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.8±6.0 kJ/mol
    Flash Point: 175.7±15.3 °C
    Index of Refraction: 1.536
    Molar Refractivity: 140.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 7.71
    ACD/LogD (pH 5.5): 7.08
    ACD/BCF (pH 5.5): 141072.91
    ACD/KOC (pH 5.5): 168868.67
    ACD/LogD (pH 7.4): 7.08
    ACD/BCF (pH 7.4): 141072.91
    ACD/KOC (pH 7.4): 168868.67
    Polar Surface Area: 64 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 43.0±5.0 dyne/cm
    Molar Volume: 449.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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