ChemSpider 2D Image | (22E)-3-Hydroxy-4,4,14-trimethylchola-8,22-dien-24-al | C27H42O2

(22E)-3-Hydroxy-4,4,14-trimethylchola-8,22-dien-24-al

  • Molecular FormulaC27H42O2
  • Average mass398.621 Da
  • Monoisotopic mass398.318481 Da
  • ChemSpider ID78443712

More details:

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

(22E)-3-Hydroxy-4,4,14-trimethylchola-8,22-dien-24-al [German] [ACD/IUPAC Name]
(22E)-3-Hydroxy-4,4,14-trimethylchola-8,22-dien-24-al [ACD/IUPAC Name]
(22E)-3-Hydroxy-4,4,14-triméthylchola-8,22-dién-24-al [French] [ACD/IUPAC Name]
Chola-8,22-dien-24-al, 3-hydroxy-4,4,14-trimethyl-, (22E)- [ACD/Index Name]
Inonotusane C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 211.9±22.7 °C
Index of Refraction: 1.544
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 105635.04
ACD/KOC (pH 5.5): 137284.17
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 105635.04
ACD/KOC (pH 7.4): 137284.17
Polar Surface Area: 37 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 380.6±5.0 cm3

Click to predict properties on the Chemicalize site


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