ChemSpider 2D Image | (4E)-6-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-4-methyl-4-hexenal | C22H22O5

(4E)-6-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-4-methyl-4-hexenal

  • Molecular FormulaC22H22O5
  • Average mass366.407 Da
  • Monoisotopic mass366.146729 Da
  • ChemSpider ID24845875

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-6-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-4-methyl-4-hexenal [ACD/IUPAC Name]
(4E)-6-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl}-4-methyl-4-hexenal [German] [ACD/IUPAC Name]
(4E)-6-{2,6-Dihydroxy-3-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényl}-4-méthyl-4-hexénal [French] [ACD/IUPAC Name]
4-Hexenal, 6-[2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]phenyl]-4-methyl-, (4E)- [ACD/Index Name]
(4E)-6-{2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}-4-methylhex-4-enal
132998-82-4 [RN]
XANTHOANGELOL C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 339.6±28.0 °C
Index of Refraction: 1.645
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 781.74
ACD/KOC (pH 5.5): 4081.19
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 374.17
ACD/KOC (pH 7.4): 1953.38
Polar Surface Area: 95 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

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