ChemSpider 2D Image | (5Z)-5-[(2R,6E,10E)-13-(2,5-Dimethoxy-2,5-dihydro-3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-ylidene]-4-hydroxy-3-methyl-2(5H)-furanone | C27H40O6

(5Z)-5-[(2R,6E,10E)-13-(2,5-Dimethoxy-2,5-dihydro-3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-ylidene]-4-hydroxy-3-methyl-2(5H)-furanone

  • Molecular FormulaC27H40O6
  • Average mass460.603 Da
  • Monoisotopic mass460.282501 Da
  • ChemSpider ID24694990

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5Z)-5-[(2R,6E,10E)-13-(2,5-Dimethoxy-2,5-dihydro-3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-yliden]-4-hydroxy-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-5-[(2R,6E,10E)-13-(2,5-Dimethoxy-2,5-dihydro-3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-ylidene]-4-hydroxy-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-5-[(2R,6E,10E)-13-(2,5-Diméthoxy-2,5-dihydro-3-furanyl)-2,6,10-triméthyl-6,10-tridécadién-1-ylidène]-4-hydroxy-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2R,6E,10E)-13-(2,5-dihydro-2,5-dimethoxy-3-furanyl)-2,6,10-trimethyl-6,10-tridecadien-1-ylidene]-4-hydroxy-3-methyl-, (5Z)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468563/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 185.9±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 742.28
ACD/KOC (pH 5.5): 1998.80
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 12.81
ACD/KOC (pH 7.4): 34.48
Polar Surface Area: 74 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 419.1±5.0 cm3

Click to predict properties on the Chemicalize site


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