ChemSpider 2D Image | Hexyl (3E)-4-(hexyloxy)-2-[(E)-2-(hexyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoate | C24H44O7

Hexyl (3E)-4-(hexyloxy)-2-[(E)-2-(hexyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoate

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID95773415

More details:

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

(3E)-4-(Hexyloxy)-2-[(E)-2-(hexyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-buténoate d'hexyle [French] [ACD/IUPAC Name]
3-Butenoic acid, 4-(hexyloxy)-2-[(E)-2-(hexyloxy)-2-hydroxyethenyl]-2,4-dihydroxy-, hexyl ester, (3E)- [ACD/Index Name]
Hexyl (3E)-4-(hexyloxy)-2-[(E)-2-(hexyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoate [ACD/IUPAC Name]
Hexyl-(3E)-4-(hexyloxy)-2-[(E)-2-(hexyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 189.5±23.6 °C
Index of Refraction: 1.496
Molar Refractivity: 122.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 933934.50
ACD/KOC (pH 5.5): 653089.06
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 852708.19
ACD/KOC (pH 7.4): 596288.50
Polar Surface Area: 105 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement