ChemSpider 2D Image | Methyl {(3S,6S)-6-[(4E,6E)-4,6-decadien-1-yl]-6-methoxy-3,6-dihydro-1,2-dioxin-3-yl}acetate | C18H28O5

Methyl {(3S,6S)-6-[(4E,6E)-4,6-decadien-1-yl]-6-methoxy-3,6-dihydro-1,2-dioxin-3-yl}acetate

  • Molecular FormulaC18H28O5
  • Average mass324.412 Da
  • Monoisotopic mass324.193665 Da
  • ChemSpider ID57641939
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(3S,6S)-6-[(4E,6E)-4,6-Décadién-1-yl]-6-méthoxy-3,6-dihydro-1,2-dioxin-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxin-3-acetic acid, 6-[(4E,6E)-4,6-decadien-1-yl]-3,6-dihydro-6-methoxy-, methyl ester, (3S,6S)- [ACD/Index Name]
Methyl {(3S,6S)-6-[(4E,6E)-4,6-decadien-1-yl]-6-methoxy-3,6-dihydro-1,2-dioxin-3-yl}acetate [ACD/IUPAC Name]
Methyl-{(3S,6S)-6-[(4E,6E)-4,6-decadien-1-yl]-6-methoxy-3,6-dihydro-1,2-dioxin-3-yl}acetat [German] [ACD/IUPAC Name]
1,2-Dioxin-3-acetic acid, 6-(4,6-decadienyl)-3,6-dihydro-6-methoxy-, methyl ester, [3[α],6[α],6(4E,6E)]-(+)- (9CI)
154702-56-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 385.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 164.3±27.9 °C
Index of Refraction: 1.496
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.50
ACD/KOC (pH 5.5): 2835.54
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 467.50
ACD/KOC (pH 7.4): 2835.54
Polar Surface Area: 54 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 308.7±5.0 cm3

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