ChemSpider 2D Image | (1R,5S,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate | C12H18O2

(1R,5S,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID30771678
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,5S,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate [ACD/IUPAC Name]
(1R,5S,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,5S,6S)-2,7,7-triméthylbicyclo[3.1.1]hept-2-én-6-yle [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1R,5S,6S)- [ACD/Index Name]
cis-Chrysanthenyl acetate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 232.1±29.0 °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±11.8 °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: 3.27
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.25
ACD/KOC (pH 5.5): 1849.01
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.25
ACD/KOC (pH 7.4): 1849.01
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






Advertisement