Found 3 results

Search term: IKMZOQZLQUAFMZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,3R,5R)-3-Allyl-2,6,6-trimethylbicyclo[3.1.1]heptane | C13H22

(1R,2S,3R,5R)-3-Allyl-2,6,6-trimethylbicyclo[3.1.1]heptane

  • Molecular FormulaC13H22
  • Average mass178.314 Da
  • Monoisotopic mass178.172150 Da
  • ChemSpider ID74041884

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R,5R)-3-Allyl-2,6,6-trimethylbicyclo[3.1.1]heptan [German] [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-Allyl-2,6,6-trimethylbicyclo[3.1.1]heptane [ACD/IUPAC Name]
(1R,2S,3R,5R)-3-Allyl-2,6,6-triméthylbicyclo[3.1.1]heptane [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-3-(2-propen-1-yl)-, (1R,2S,3R,5R)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 211.5±7.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 43.0±0.8 kJ/mol
Flash Point: 75.3±10.3 °C
Index of Refraction: 1.458
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3726.07
ACD/KOC (pH 5.5): 12528.40
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3726.07
ACD/KOC (pH 7.4): 12528.40
Polar Surface Area: 0 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 26.8±3.0 dyne/cm
Molar Volume: 212.8±3.0 cm3

Click to predict properties on the Chemicalize site


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