ChemSpider 2D Image | (3S,11Z)-14,16-Dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C20H26O5

(3S,11Z)-14,16-Dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID44241380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,11Z)-14,16-Dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3S,11Z)-14,16-Dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3S,11Z)-14,16-Diméthoxy-3-méthyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dimethoxy-3-methyl-, (3S,11Z)- [ACD/Index Name]
(2E,11S)-15,17-dimethoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
10497-40-2 [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: 548.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 300.7±18.1 °C
    Index of Refraction: 1.498
    Molar Refractivity: 94.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 3.46
    ACD/BCF (pH 5.5): 251.74
    ACD/KOC (pH 5.5): 1820.60
    ACD/LogD (pH 7.4): 3.46
    ACD/BCF (pH 7.4): 251.74
    ACD/KOC (pH 7.4): 1820.60
    Polar Surface Area: 62 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 323.5±3.0 cm3

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