ChemSpider 2D Image | (1S,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one | C10H16O

(1S,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID32757911
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-on [German] [ACD/IUPAC Name]
(1S,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one [ACD/IUPAC Name]
(1S,4R,5S)-1-Isopropyl-4-méthylbicyclo[3.1.0]hexan-3-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5S)- [ACD/Index Name]
(-)-thujan-3-one
3-Thujanone, (1S,4R,5R)-(-)-
546-80-5 [RN]
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4α,5α)]-
L-3-thujone
WLN: L35 EVTJ AY1&1 D1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 200.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 71.5±10.7 °C
Index of Refraction: 1.500
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.75
ACD/KOC (pH 5.5): 545.58
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.75
ACD/KOC (pH 7.4): 545.58
Polar Surface Area: 17 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 150.8±3.0 cm3

Click to predict properties on the Chemicalize site






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