ChemSpider 2D Image | Methyl (3R,7S,11R)-3,7,11,15-tetramethylhexadecanoate | C21H42O2

Methyl (3R,7S,11R)-3,7,11,15-tetramethylhexadecanoate

  • Molecular FormulaC21H42O2
  • Average mass326.557 Da
  • Monoisotopic mass326.318481 Da
  • ChemSpider ID32787625
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3R,7S,11R)-3,7,11,15-Tétraméthylhexadécanoate de méthyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 3,7,11,15-tetramethyl-, methyl ester, (3R,7S,11R)- [ACD/Index Name]
Methyl (3R,7S,11R)-3,7,11,15-tetramethylhexadecanoate [ACD/IUPAC Name]
Methyl-(3R,7S,11R)-3,7,11,15-tetramethylhexadecanoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 346.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 174.0±10.3 °C
Index of Refraction: 1.444
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 866195.38
ACD/KOC (pH 5.5): 619034.25
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 866195.38
ACD/KOC (pH 7.4): 619034.25
Polar Surface Area: 26 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 380.2±3.0 cm3

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