ChemSpider 2D Image | 2-[(1E,3S,4S,5E)-3,4-Dihydroxy-1,5-heptadien-1-yl]-6-hydroxybenzaldehyde | C14H16O4

2-[(1E,3S,4S,5E)-3,4-Dihydroxy-1,5-heptadien-1-yl]-6-hydroxybenzaldehyde

  • Molecular FormulaC14H16O4
  • Average mass248.274 Da
  • Monoisotopic mass248.104858 Da
  • ChemSpider ID23078607

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(-)-epipyriculol
2-[(1E,3S,4S,5E)-3,4-Dihydroxy-1,5-heptadien-1-yl]-6-hydroxybenzaldehyd [German] [ACD/IUPAC Name]
2-[(1E,3S,4S,5E)-3,4-Dihydroxy-1,5-heptadien-1-yl]-6-hydroxybenzaldehyde [ACD/IUPAC Name]
2-[(1E,3S,4S,5E)-3,4-Dihydroxy-1,5-heptadién-1-yl]-6-hydroxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2-[(1E,3S,4S,5E)-3,4-dihydroxy-1,5-heptadien-1-yl]-6-hydroxy- [ACD/Index Name]
Epipyriculol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 274.7±26.6 °C
Index of Refraction: 1.660
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 219.84
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.08
ACD/KOC (pH 7.4): 168.43
Polar Surface Area: 78 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 195.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement