ChemSpider 2D Image | 4-Hydroxy-3-{(1E)-3-[5-hydroxy-2-methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromen-6-yl]-3-oxo-1-propen-1-yl}benzaldehyde | C31H34O5

4-Hydroxy-3-{(1E)-3-[5-hydroxy-2-methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromen-6-yl]-3-oxo-1-propen-1-yl}benzaldehyde

  • Molecular FormulaC31H34O5
  • Average mass486.599 Da
  • Monoisotopic mass486.240631 Da
  • ChemSpider ID29418129

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Hydroxy-3-{(1E)-3-[5-hydroxy-2-methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromen-6-yl]-3-oxo-1-propen-1-yl}benzaldehyd [German] [ACD/IUPAC Name]
4-Hydroxy-3-{(1E)-3-[5-hydroxy-2-methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromen-6-yl]-3-oxo-1-propen-1-yl}benzaldehyde [ACD/IUPAC Name]
4-Hydroxy-3-{(1E)-3-[5-hydroxy-2-méthyl-8-(3-méthyl-2-butén-1-yl)-2-(4-méthyl-3-pentén-1-yl)-2H-chromén-6-yl]-3-oxo-1-propén-1-yl}benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-hydroxy-3-[(1E)-3-[5-hydroxy-2-methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-1-benzopyran-6-yl]-3-oxo-1-propen-1-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 221.8±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 10.77
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 841865.88
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 152367.33
ACD/KOC (pH 7.4): 94214.09
Polar Surface Area: 84 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 420.7±3.0 cm3

Click to predict properties on the Chemicalize site


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