ChemSpider 2D Image | (3S,7R,11R)-3,7,11,15-Tetramethyl-1-hexadecanol | C20H42O

(3S,7R,11R)-3,7,11,15-Tetramethyl-1-hexadecanol

  • Molecular FormulaC20H42O
  • Average mass298.547 Da
  • Monoisotopic mass298.323578 Da
  • ChemSpider ID68897471

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,7R,11R)-3,7,11,15-Tetramethyl-1-hexadecanol [German] [ACD/IUPAC Name]
(3S,7R,11R)-3,7,11,15-Tetramethyl-1-hexadecanol [ACD/IUPAC Name]
(3S,7R,11R)-3,7,11,15-Tétraméthyl-1-hexadécanol [French] [ACD/IUPAC Name]
1-Hexadecanol, 3,7,11,15-tetramethyl-, (3S,7R,11R)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 343.6±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.0±6.0 kJ/mol
Flash Point: 154.3±9.1 °C
Index of Refraction: 1.450
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 446037.75
ACD/KOC (pH 5.5): 384939.50
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 446037.75
ACD/KOC (pH 7.4): 384939.50
Polar Surface Area: 20 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

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