ChemSpider 2D Image | (+/-)-Asarinol A | C10H14O2

(±)-Asarinol A

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID30791567

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(±)-Asarinol A
(1R,5R,6S)-5-Hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-on [German] [ACD/IUPAC Name]
(1R,5R,6S)-5-Hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one [ACD/IUPAC Name]
(1R,5R,6S)-5-Hydroxy-3,7,7-triméthylbicyclo[4.1.0]hept-3-én-2-one [French] [ACD/IUPAC Name]
131896-45-2 [RN]
Bicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3,7,7-trimethyl-, (1R,5R,6S)- [ACD/Index Name]
rel-(1R,5R,6S)-5-Hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 279.8±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.2±6.0 kJ/mol
Flash Point: 117.2±16.9 °C
Index of Refraction: 1.528
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 132.01
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.44
ACD/KOC (pH 7.4): 132.01
Polar Surface Area: 37 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 148.4±3.0 cm3

Click to predict properties on the Chemicalize site


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