ChemSpider 2D Image | [(2S,4S)-4-Methyl-2-(2-methyl-2-propanyl)-1,3-dioxolan-4-yl]methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C19H30O6

[(2S,4S)-4-Methyl-2-(2-methyl-2-propanyl)-1,3-dioxolan-4-yl]methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

  • Molecular FormulaC19H30O6
  • Average mass354.438 Da
  • Monoisotopic mass354.204254 Da
  • ChemSpider ID30653842

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de [(2S,4S)-4-méthyl-2-(2-méthyl-2-propanyl)-1,3-dioxolan-4-yl]méthyle [French] [ACD/IUPAC Name]
[(2S,4S)-4-Methyl-2-(2-methyl-2-propanyl)-1,3-dioxolan-4-yl]methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
[(2S,4S)-4-Methyl-2-(2-methyl-2-propanyl)-1,3-dioxolan-4-yl]methyl-(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [German] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, [(2S,4S)-2-(1,1-dimethylethyl)-4-methyl-1,3-dioxolan-4-yl]methyl ester, (1S,4R)- [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: 437.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 188.9±26.0 °C
Index of Refraction: 1.493
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.94
ACD/KOC (pH 5.5): 337.92
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.94
ACD/KOC (pH 7.4): 337.92
Polar Surface Area: 71 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

Click to predict properties on the Chemicalize site


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