ChemSpider 2D Image | (3S,7R,11S)-1-Ethoxy-3,7,11,15-tetramethylhexadecane | C22H46O

(3S,7R,11S)-1-Ethoxy-3,7,11,15-tetramethylhexadecane

  • Molecular FormulaC22H46O
  • Average mass326.600 Da
  • Monoisotopic mass326.354858 Da
  • ChemSpider ID61710998

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,7R,11S)-1-Ethoxy-3,7,11,15-tetramethylhexadecan [German] [ACD/IUPAC Name]
(3S,7R,11S)-1-Ethoxy-3,7,11,15-tetramethylhexadecane [ACD/IUPAC Name]
(3S,7R,11S)-1-Éthoxy-3,7,11,15-tétraméthylhexadécane [French] [ACD/IUPAC Name]
Hexadecane, 1-ethoxy-3,7,11,15-tetramethyl-, (3S,7R,11S)- [ACD/Index Name]
LI1

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

UN1206 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 356.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 153.6±10.7 °C
Index of Refraction: 1.441
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 8.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1392481.00
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1392481.00
Polar Surface Area: 9 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 27.7±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

Click to predict properties on the Chemicalize site


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