ChemSpider 2D Image | (3E)-4-(Dodecyloxy)-2-[(E)-2-(dodecyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoic acid | C30H56O7

(3E)-4-(Dodecyloxy)-2-[(E)-2-(dodecyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC30H56O7
  • Average mass528.761 Da
  • Monoisotopic mass528.402588 Da
  • ChemSpider ID95770771

More details:

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

(3E)-4-(Dodecyloxy)-2-[(E)-2-(dodecyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-(Dodecyloxy)-2-[(E)-2-(dodecyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 4-(dodecyloxy)-2-[(E)-2-(dodecyloxy)-2-hydroxyethenyl]-2,4-dihydroxy-, (3E)- [ACD/Index Name]
Acide (3E)-4-(dodécyloxy)-2-[(E)-2-(dodécyloxy)-2-hydroxyvinyl]-2,4-dihydroxy-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 213.9±25.0 °C
Index of Refraction: 1.501
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 14.75
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 54581.84
ACD/KOC (pH 5.5): 7779.24
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 44408.80
ACD/KOC (pH 7.4): 6329.33
Polar Surface Area: 116 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 510.5±3.0 cm3

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