ChemSpider 2D Image | Methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaenoate | C25H30O3

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

  • Molecular FormulaC25H30O3
  • Average mass378.504 Da
  • Monoisotopic mass378.219482 Da
  • ChemSpider ID30776930

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tétraméthyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaénoate de méthyle [French] [ACD/IUPAC Name]
2,4,6,8,10,12,14,16,18-Eicosanonaenoic acid, 4,8,13,17-tetramethyl-20-oxo-, methyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)- [ACD/Index Name]
201996-46-5 [RN]
Methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-eicosanonaenoate
Methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaenoate [ACD/IUPAC Name]
Methyl-(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxo-2,4,6,8,10,12,14,16,18-icosanonaenoat [German] [ACD/IUPAC Name]
methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoate
Methyl (9Z)-6'-oxo-6,6'-diapo-6-carotenoate

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 557.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 239.0±22.7 °C
Index of Refraction: 1.536
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4890.13
ACD/KOC (pH 5.5): 15219.78
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4890.13
ACD/KOC (pH 7.4): 15219.78
Polar Surface Area: 43 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

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