ChemSpider 2D Image | [(2R,6S)-4-(Acetoxymethyl)-6-(3-methylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]methyl pivalate | C19H30O7

[(2R,6S)-4-(Acetoxymethyl)-6-(3-methylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]methyl pivalate

  • Molecular FormulaC19H30O7
  • Average mass370.437 Da
  • Monoisotopic mass370.199158 Da
  • ChemSpider ID26399400

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R,6S)-4-(Acetoxymethyl)-6-(3-methylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]methyl pivalate [ACD/IUPAC Name]
[(2R,6S)-4-(Acetoxymethyl)-6-(3-methylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]methylpivalat [German] [ACD/IUPAC Name]
Pivalate de [(2R,6S)-4-(acétoxyméthyl)-6-(3-méthylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [(2R,6S)-4-[(acetyloxy)methyl]-3,6-dihydro-6-(3-methylbutoxy)-3-oxo-2H-pyran-2-yl]methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 202.3±28.8 °C
Index of Refraction: 1.482
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.37
ACD/KOC (pH 5.5): 1264.95
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.37
ACD/KOC (pH 7.4): 1264.95
Polar Surface Area: 88 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 333.1±5.0 cm3

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