ChemSpider 2D Image | (3R,7S,11S)-3,7,11,15-Tetramethylhexadecanoic acid | C20H40O2

(3R,7S,11S)-3,7,11,15-Tetramethylhexadecanoic acid

  • Molecular FormulaC20H40O2
  • Average mass312.530 Da
  • Monoisotopic mass312.302826 Da
  • ChemSpider ID25058814
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3R,7S,11S)-3,7,11,15-Tetramethylhexadecanoic acid [ACD/IUPAC Name]
(3R,7S,11S)-3,7,11,15-Tetramethylhexadecansäure [German] [ACD/IUPAC Name]
Acide (3R,7S,11S)-3,7,11,15-tétraméthylhexadécanoïque [French] [ACD/IUPAC Name]
Hexadecanoic acid, 3,7,11,15-tetramethyl-, (3R,7S,11S)- [ACD/Index Name]
VGJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 422.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 179.7±11.2 °C
Index of Refraction: 1.454
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 43240.29
ACD/KOC (pH 5.5): 43388.38
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 695.98
ACD/KOC (pH 7.4): 698.37
Polar Surface Area: 37 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 354.8±3.0 cm3

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