ChemSpider 2D Image | (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl 3-(4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)propanoate | C28H47NO4

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl 3-(4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)propanoate

  • Molecular FormulaC28H47NO4
  • Average mass461.677 Da
  • Monoisotopic mass461.350494 Da
  • ChemSpider ID35516613

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl 3-(4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)propanoate [ACD/IUPAC Name]
(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl-3-(4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)propanoat [German] [ACD/IUPAC Name]
1H-Pyrrole-3-propanoic acid, 2,5-dihydro-4-methyl-2,5-dioxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester [ACD/Index Name]
3-(4-Méthyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)propanoate de (2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yle [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: 564.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 294.9±25.4 °C
Index of Refraction: 1.485
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 10.28
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 821716.44
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 743044.94
Polar Surface Area: 72 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 469.3±3.0 cm3

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