ChemSpider 2D Image | (3S,3aR,8aS)-3,8a-Dihydroxy-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone | C12H18O3

(3S,3aR,8aS)-3,8a-Dihydroxy-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID30826815

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3aR,8aS)-3,8a-Dihydroxy-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenon [German] [ACD/IUPAC Name]
(3S,3aR,8aS)-3,8a-Dihydroxy-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone [ACD/IUPAC Name]
(3S,3aR,8aS)-3,8a-Dihydroxy-3,8-diméthyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulénone [French] [ACD/IUPAC Name]
6(1H)-Azulenone, 2,3,3a,7,8,8a-hexahydro-1,3a-dihydroxy-1,4-dimethyl-, (1S,3aS,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 192.4±24.4 °C
Index of Refraction: 1.563
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.85
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 44.85
Polar Surface Area: 58 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 173.4±3.0 cm3

Click to predict properties on the Chemicalize site


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