ChemSpider 2D Image | (1R,4S,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl acetate | C12H20O3

(1R,4S,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl acetate

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID95636696

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4S,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl acetate [ACD/IUPAC Name]
(1R,4S,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl-acetat [German] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate, (1R,4S,6S)- [ACD/Index Name]
Acétate de (1R,4S,6S)-1,3,3-triméthyl-2-oxabicyclo[2.2.2]oct-6-yle [French] [ACD/IUPAC 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: 253.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 99.9±17.2 °C
Index of Refraction: 1.480
Molar Refractivity: 57.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.30
ACD/KOC (pH 5.5): 481.82
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.30
ACD/KOC (pH 7.4): 481.82
Polar Surface Area: 36 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 201.0±5.0 cm3

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