ChemSpider 2D Image | (3R,6S,10R,11R)-10,11-Dihydroxy-3,9-dimethyl-1-oxaspiro[5.5]undec-8-ene-2,7-dione | C12H16O5

(3R,6S,10R,11R)-10,11-Dihydroxy-3,9-dimethyl-1-oxaspiro[5.5]undec-8-ene-2,7-dione

  • Molecular FormulaC12H16O5
  • Average mass240.252 Da
  • Monoisotopic mass240.099777 Da
  • ChemSpider ID44210803

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,6S,10R,11R)-10,11-Dihydroxy-3,9-dimethyl-1-oxaspiro[5.5]undec-8-en-2,7-dion [German] [ACD/IUPAC Name]
(3R,6S,10R,11R)-10,11-Dihydroxy-3,9-dimethyl-1-oxaspiro[5.5]undec-8-ene-2,7-dione [ACD/IUPAC Name]
(3R,6S,10R,11R)-10,11-Dihydroxy-3,9-diméthyl-1-oxaspiro[5.5]undéc-8-ène-2,7-dione [French] [ACD/IUPAC Name]
1-Oxaspiro[5.5]undec-8-ene-2,7-dione, 10,11-dihydroxy-3,9-dimethyl-, (3R,6S,10R,11R)- [ACD/Index Name]
Penicyclone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 188.5±22.2 °C
Index of Refraction: 1.559
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.45
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.45
Polar Surface Area: 84 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 180.2±5.0 cm3

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