ChemSpider 2D Image | (1R,5S)-3-Ethylbicyclo[3.2.0]hept-3-en-6-one | C9H12O

(1R,5S)-3-Ethylbicyclo[3.2.0]hept-3-en-6-one

  • Molecular FormulaC9H12O
  • Average mass136.191 Da
  • Monoisotopic mass136.088821 Da
  • ChemSpider ID71045613

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3-Ethylbicyclo[3.2.0]hept-3-en-6-on [German] [ACD/IUPAC Name]
(1R,5S)-3-Ethylbicyclo[3.2.0]hept-3-en-6-one [ACD/IUPAC Name]
(1R,5S)-3-Éthylbicyclo[3.2.0]hept-3-én-6-one [French] [ACD/IUPAC Name]
1235479-61-4 [RN]
Bicyclo[3.2.0]hept-3-en-6-one, 3-ethyl-, (1R,5S)- [ACD/Index Name]
MFCD30803295

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

Density: 1.0±0.1 g/cm3
Boiling Point: 212.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.9±3.0 kJ/mol
Flash Point: 79.5±13.7 °C
Index of Refraction: 1.515
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.34
ACD/KOC (pH 5.5): 341.98
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.34
ACD/KOC (pH 7.4): 341.98
Polar Surface Area: 17 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 130.6±3.0 cm3

Click to predict properties on the Chemicalize site


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