ChemSpider 2D Image | (2Z,5E)-2-[3-Hydroxy-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)propylidene]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octenal | C25H36O5

(2Z,5E)-2-[3-Hydroxy-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)propylidene]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octenal

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID109120995

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,5E)-2-[3-Hydroxy-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)propyliden]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octenal [German] [ACD/IUPAC Name]
(2Z,5E)-2-[3-Hydroxy-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)propylidene]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octenal [ACD/IUPAC Name]
(2Z,5E)-2-[3-Hydroxy-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)propylidène]-6-méthyl-8-(2,6,6-triméthyl-1-cyclohexén-1-yl)-5-octénal [French] [ACD/IUPAC Name]
5-Octenal, 2-[3-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)-3-hydroxypropylidene]-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z,5E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 207.5±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2598.71
ACD/KOC (pH 5.5): 9679.96
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2588.90
ACD/KOC (pH 7.4): 9643.43
Polar Surface Area: 84 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 377.0±3.0 cm3

Click to predict properties on the Chemicalize site


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