ChemSpider 2D Image | (2S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate | C12H18O2

(2S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID24228637

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate [ACD/IUPAC Name]
(2S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S)-4,6,6-triméthylbicyclo[3.1.1]hept-3-én-2-yle [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, acetate, (2S)- [ACD/Index Name]
cis-Verbenyl acetate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 232.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 85.3±9.0 °C
Index of Refraction: 1.496
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.96
ACD/KOC (pH 5.5): 2612.55
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.96
ACD/KOC (pH 7.4): 2612.55
Polar Surface Area: 26 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 33.1±5.0 dyne/cm
Molar Volume: 188.1±5.0 cm3

Click to predict properties on the Chemicalize site


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