ChemSpider 2D Image | 11-[(1S,3S)-3-{3-[(2S)-3-(Allyloxy)-2-{[(3R)-3,7-dimethyloctyl]oxy}propoxy]propyl}cyclopentyl]-1-undecanol | C35H68O4

11-[(1S,3S)-3-{3-[(2S)-3-(Allyloxy)-2-{[(3R)-3,7-dimethyloctyl]oxy}propoxy]propyl}cyclopentyl]-1-undecanol

  • Molecular FormulaC35H68O4
  • Average mass552.912 Da
  • Monoisotopic mass552.511780 Da
  • ChemSpider ID9585171

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

11-[(1S,3S)-3-{3-[(2S)-3-(Allyloxy)-2-{[(3R)-3,7-dimethyloctyl]oxy}propoxy]propyl}cyclopentyl]-1-undecanol [ACD/IUPAC Name]
11-[(1S,3S)-3-{3-[(2S)-3-(Allyloxy)-2-{[(3R)-3,7-dimethyloctyl]oxy}propoxy]propyl}cyclopentyl]-1-undecanol [German] [ACD/IUPAC Name]
11-[(1S,3S)-3-{3-[(2S)-3-(Allyloxy)-2-{[(3R)-3,7-diméthyloctyl]oxy}propoxy]propyl}cyclopentyl]-1-undécanol [French] [ACD/IUPAC Name]
Cyclopentaneundecanol, 3-[3-[(2S)-2-[[(3R)-3,7-dimethyloctyl]oxy]-3-(2-propen-1-yloxy)propoxy]propyl]-, (1S,3S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 609.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 322.2±28.7 °C
Index of Refraction: 1.468
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 11.75
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 48 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 605.9±3.0 cm3

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