ChemSpider 2D Image | (+/-)-Asarinol B | C10H14O3

(±)-Asarinol B

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID30791566
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(±)-Asarinol B
(1S,2S,4S,5S,7R)-5-Hydroxy-5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-6-on [German] [ACD/IUPAC Name]
(1S,2S,4S,5S,7R)-5-Hydroxy-5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octan-6-one [ACD/IUPAC Name]
(1S,2S,4S,5S,7R)-5-Hydroxy-5,8,8-triméthyl-3-oxatricyclo[5.1.0.02,4]octan-6-one [French] [ACD/IUPAC Name]
3-Oxatricyclo[5.1.0.02,4]octan-6-one, 5-hydroxy-5,8,8-trimethyl-, (1S,2S,4S,5S,7R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 294.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 117.1±16.7 °C
Index of Refraction: 1.541
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 72.59
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 72.59
Polar Surface Area: 50 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 145.3±3.0 cm3

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