ChemSpider 2D Image | variabilin 9-octadecenoate | C43H66O5

variabilin 9-octadecenoate

  • Molecular FormulaC43H66O5
  • Average mass662.981 Da
  • Monoisotopic mass662.491028 Da
  • ChemSpider ID10476676
  • 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

(2Z)-2-[(2R,6E,10E)-13-(3-Furyl)-2,6,10-trimethyl-6,10-tridecadien-1-yliden]-4-methyl-5-oxo-2,5-dihydro-3-furanyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(2Z)-2-[(2R,6E,10E)-13-(3-Furyl)-2,6,10-trimethyl-6,10-tridecadien-1-ylidene]-4-methyl-5-oxo-2,5-dihydro-3-furanyl (9E)-9-octadecenoate [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2Z)-2-[(2R,6E,10E)-13-(3-furyl)-2,6,10-triméthyl-6,10-tridécadién-1-ylidène]-4-méthyl-5-oxo-2,5-dihydro-3-furanyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2Z)-2-[(2R,6E,10E)-13-(3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-ylidene]-2,5-dihydro-4-methyl-5-oxo-3-furanyl ester, (9E)- [ACD/Index Name]
variabilin 9-octadecenoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 725.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 199.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 16.48
ACD/LogD (pH 5.5): 14.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 66 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 657.9±5.0 cm3

Click to predict properties on the Chemicalize site






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