ChemSpider 2D Image | 6-[(1E,3E)-1,3-Heptadien-1-yl]-3,4-dihydroxy-2-oxocyclohexanecarbaldehyde | C14H20O4

6-[(1E,3E)-1,3-Heptadien-1-yl]-3,4-dihydroxy-2-oxocyclohexanecarbaldehyde

  • Molecular FormulaC14H20O4
  • Average mass252.306 Da
  • Monoisotopic mass252.136154 Da
  • ChemSpider ID95639503

  • Double-bond stereo - Double-bond stereo

More details:

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

6-[(1E,3E)-1,3-Heptadien-1-yl]-3,4-dihydroxy-2-oxocyclohexancarbaldehyd [German] [ACD/IUPAC Name]
6-[(1E,3E)-1,3-Heptadien-1-yl]-3,4-dihydroxy-2-oxocyclohexanecarbaldehyde [ACD/IUPAC Name]
6-[(1E,3E)-1,3-Heptadién-1-yl]-3,4-dihydroxy-2-oxocyclohexanecarbaldéhyde [French] [ACD/IUPAC Name]
Cyclohexanecarboxaldehyde, 6-[(1E,3E)-1,3-heptadien-1-yl]-3,4-dihydroxy-2-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±6.0 kJ/mol
Flash Point: 220.5±25.2 °C
Index of Refraction: 1.642
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.65
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 199.0±3.0 cm3

Click to predict properties on the Chemicalize site


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