ChemSpider 2D Image | 1-{[(2S)-4-Methyl-2-pentanyl]oxy}hexadecane | C22H46O

1-{[(2S)-4-Methyl-2-pentanyl]oxy}hexadecane

  • Molecular FormulaC22H46O
  • Average mass326.600 Da
  • Monoisotopic mass326.354858 Da
  • ChemSpider ID34987265

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{[(2S)-4-Methyl-2-pentanyl]oxy}hexadecan [German] [ACD/IUPAC Name]
1-{[(2S)-4-Methyl-2-pentanyl]oxy}hexadecane [ACD/IUPAC Name]
1-{[(2S)-4-Méthyl-2-pentanyl]oxy}hexadécane [French] [ACD/IUPAC Name]
Hexadecane, 1-[(1S)-1,3-dimethylbutoxy]- [ACD/Index Name]
185143-68-4 [RN]
CETYL DIMETHYLBUTYL ETHER
UNII-7LAB1GXG9G

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

Density: 0.8±0.1 g/cm3
Boiling Point: 367.9±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: 160.4±10.7 °C
Index of Refraction: 1.443
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 10.18
ACD/LogD (pH 5.5): 9.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4491308.00
ACD/LogD (pH 7.4): 9.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4491308.00
Polar Surface Area: 9 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 28.6±3.0 dyne/cm
Molar Volume: 398.8±3.0 cm3

Click to predict properties on the Chemicalize site


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