ChemSpider 2D Image | 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE | C43H88O2

1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE

  • Molecular FormulaC43H88O2
  • Average mass637.158 Da
  • Monoisotopic mass636.678406 Da
  • ChemSpider ID395020

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,7S,11S)-3,7,11,15-Tetramethyl-1-{[(2R)-1-{[(3S,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-propanyl]oxy}hexadecan [German] [ACD/IUPAC Name]
(3S,7S,11S)-3,7,11,15-Tetramethyl-1-{[(2R)-1-{[(3S,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-2-propanyl]oxy}hexadecane [ACD/IUPAC Name]
(3S,7S,11S)-3,7,11,15-Tétraméthyl-1-{[(2R)-1-{[(3S,7S,11S)-3,7,11,15-tétraméthylhexadécyl]oxy}-2-propanyl]oxy}hexadécane [French] [ACD/IUPAC Name]
1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE
Hexadecane, 1,1'-[[(1R)-1-methyl-1,2-ethanediyl]bis(oxy)]bis[3,7,11,15-tetramethyl-, (3S,7S,11S,3'S,7'S,11'S)- [ACD/Index Name]
PH1
PHYTANYL MOIETY

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

Density: 0.8±0.1 g/cm3
Boiling Point: 638.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: -18.4±19.7 °C
Index of Refraction: 1.454
Molar Refractivity: 204.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 18.63
ACD/LogD (pH 5.5): 16.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 754.4±3.0 cm3

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