ChemSpider 2D Image | (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-Methoxy-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaenoic acid | C25H30O4

(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-Methoxy-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaenoic acid

  • Molecular FormulaC25H30O4
  • Average mass394.503 Da
  • Monoisotopic mass394.214417 Da
  • ChemSpider ID65793085

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-Methoxy-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-Methoxy-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaensäure [German] [ACD/IUPAC Name]
2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)- [ACD/Index Name]
Acide (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-méthoxy-4,8,13,17-tétraméthyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaénoïque [French] [ACD/IUPAC Name]
Bixin [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 596.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 197.8±16.1 °C
Index of Refraction: 1.548
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1037.18
ACD/KOC (pH 5.5): 2831.93
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 16.40
ACD/KOC (pH 7.4): 44.78
Polar Surface Area: 64 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 381.0±3.0 cm3

Click to predict properties on the Chemicalize site


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