ChemSpider 2D Image | (1R,2S,4R)-1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate | C12H20O2

(1R,2S,4R)-1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID34991413
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2S,4R)-1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate [ACD/IUPAC Name]
(1R,2S,4R)-1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2S,4R)-1,3,3-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, (1R,2S,4R)- [ACD/Index Name]
13851-11-1 [RN]
237-588-5 [EINECS]
FENCHYL ACETATE
UNII-I8JL13M20M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 219.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 87.4±6.0 °C
Index of Refraction: 1.480
Molar Refractivity: 55.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 399.46
ACD/KOC (pH 5.5): 2533.60
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 399.46
ACD/KOC (pH 7.4): 2533.60
Polar Surface Area: 26 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 32.7±5.0 dyne/cm
Molar Volume: 194.7±5.0 cm3

Click to predict properties on the Chemicalize site






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