ChemSpider 2D Image | (2R,3S,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]hept-2-yl acetate | C12H20O3

(2R,3S,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]hept-2-yl acetate

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID59696384

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3S,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]hept-2-yl acetate [ACD/IUPAC Name]
(2R,3S,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]hept-2-yl-acetat [German] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptan-2-ol, 6-methyl-3-(1-methylethyl)-, acetate, (2R,3S,6S)- [ACD/Index Name]
Acétate de (2R,3S,6S)-3-isopropyl-6-méthyl-7-oxabicyclo[4.1.0]hept-2-yle [French] [ACD/IUPAC Name]
(+)-1,2-Epoxyneomenthyl acetate
(2R,3S,6S)-6-methyl-3-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-2-yl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 257.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 101.9±17.2 °C
Index of Refraction: 1.477
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.75
ACD/KOC (pH 5.5): 422.84
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.75
ACD/KOC (pH 7.4): 422.84
Polar Surface Area: 39 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 33.5±5.0 dyne/cm
Molar Volume: 201.8±5.0 cm3

Click to predict properties on the Chemicalize site


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