ChemSpider 2D Image | (1S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one | C10H14O

(1S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one

  • Molecular FormulaC10H14O
  • Average mass150.218 Da
  • Monoisotopic mass150.104462 Da
  • ChemSpider ID61661280
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-on [German] [ACD/IUPAC Name]
(1S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one [ACD/IUPAC Name]
(1S,5R)-1-Isopropyl-4-méthylbicyclo[3.1.0]hex-3-én-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-, (1S,5R)- [ACD/Index Name]
1932206-08-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 214.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 85.2±8.9 °C
Index of Refraction: 1.530
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.18
ACD/KOC (pH 5.5): 398.83
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.18
ACD/KOC (pH 7.4): 398.83
Polar Surface Area: 17 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 142.1±3.0 cm3

Click to predict properties on the Chemicalize site






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