ChemSpider 2D Image | Furanoelemene | C15H20O

Furanoelemene

  • Molecular FormulaC15H20O
  • Average mass216.319 Da
  • Monoisotopic mass216.151413 Da
  • ChemSpider ID57257199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6S)-5-Isopropenyl-3,6-dimethyl-6-vinyl-4,5,6,7-tetrahydro-1-benzofuran [German] [ACD/IUPAC Name]
(5S,6S)-5-Isopropenyl-3,6-dimethyl-6-vinyl-4,5,6,7-tetrahydro-1-benzofuran [ACD/IUPAC Name]
(5S,6S)-5-Isopropényl-3,6-diméthyl-6-vinyl-4,5,6,7-tétrahydro-1-benzofurane [French] [ACD/IUPAC Name]
120520-43-6 [RN]
Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-(1-methylethenyl)-, (5S,6S)- [ACD/Index Name]
Furanoelemene
(5S,6S)-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-4,5,6,7-tetrahydrobenzofuran
(5S,6S)-6-Ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran
17910-09-7 [RN]
Curzerene
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 282.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.1±3.0 kJ/mol
    Flash Point: 117.5±14.2 °C
    Index of Refraction: 1.539
    Molar Refractivity: 68.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.78
    ACD/LogD (pH 5.5): 5.22
    ACD/BCF (pH 5.5): 5419.41
    ACD/KOC (pH 5.5): 16381.55
    ACD/LogD (pH 7.4): 5.22
    ACD/BCF (pH 7.4): 5419.41
    ACD/KOC (pH 7.4): 16381.55
    Polar Surface Area: 13 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 220.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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