ChemSpider 2D Image | (1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid | C10H14O2

(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID61458570

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1R,5S)-6,6-diméthylbicyclo[3.1.1]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-, (1R,5S)- [ACD/Index Name]
105498-90-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 269.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 126.6±13.4 °C
Index of Refraction: 1.529
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 10.85
ACD/KOC (pH 5.5): 118.80
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 37 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 147.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement