ChemSpider 2D Image | (5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one | C10H14O

(5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one

  • Molecular FormulaC10H14O
  • Average mass150.218 Da
  • Monoisotopic mass150.104462 Da
  • ChemSpider ID59650753

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-on [German] [ACD/IUPAC Name]
(5R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one [ACD/IUPAC Name]
(5R)-4,6,6-Triméthylbicyclo[3.1.1]hept-3-én-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (5R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 227.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 86.9±8.9 °C
Index of Refraction: 1.494
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.42
ACD/KOC (pH 5.5): 465.15
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.42
ACD/KOC (pH 7.4): 465.15
Polar Surface Area: 17 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 151.4±3.0 cm3

Click to predict properties on the Chemicalize site


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