ChemSpider 2D Image | MFCD11501928 | C20H28O4

MFCD11501928

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID22886560

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2aS,5aS,6R,7R,8aR)-6-(2-Furan-3-yl-ethyl)-6-hydroxy-2a,5a,7-trimethyl-decahydro-naphtho[1,8-bc]furan-2-one
(2aS,5aS,6R,7R,8aR)-6-[2-(3-Furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-on [German] [ACD/IUPAC Name]
(2aS,5aS,6R,7R,8aR)-6-[2-(3-Furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one [ACD/IUPAC Name]
(2aS,5aS,6R,7R,8aR)-6-[2-(3-Furyl)éthyl]-6-hydroxy-2a,5a,7-triméthyldécahydro-2H-naphto[1,8-bc]furan-2-one [French] [ACD/IUPAC Name]
2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7R,8aR)- [ACD/Index Name]
MFCD11501928
(2aS,5aS,6R,7R,8aR)-6-(2-(furan-3-yl)ethyl)-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one
328070-99-1 [RN]
6-(2-Furan-3-yl-ethyl)-6-hydroxy-2a,5a,7-trimethyl-decahydro-naphtho[1,8-bc]furan-2-one
6-(2-FURAN-3-YL-ETHYL)-6-HYDROXY-2α,5α,7-TRIMETHYL-DECAHYDRO-NAPHTHO[1,8-BC]FURAN-2-ONE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 465.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.6±3.0 kJ/mol
    Flash Point: 235.2±28.7 °C
    Index of Refraction: 1.537
    Molar Refractivity: 90.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 234.63
    ACD/KOC (pH 5.5): 1731.11
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 234.63
    ACD/KOC (pH 7.4): 1731.11
    Polar Surface Area: 60 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 42.6±3.0 dyne/cm
    Molar Volume: 288.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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