ChemSpider 2D Image | (4aS,7S,8S)-7,8-Dihydroxy-4a,8-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone | C12H18O3

(4aS,7S,8S)-7,8-Dihydroxy-4a,8-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID113589566

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,7S,8S)-7,8-Dihydroxy-4a,8-diméthyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphtalénone [French] [ACD/IUPAC Name]
(4aS,7S,8S)-7,8-Dihydroxy-4a,8-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone [ACD/IUPAC Name]
(4aS,7S,8S)-7,8-Dihydroxy-4a,8-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalinon [German] [ACD/IUPAC Name]
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-7,8-dihydroxy-4a,8-dimethyl-, (4aS,7S,8S)- [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: 357.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 184.4±24.4 °C
Index of Refraction: 1.553
Molar Refractivity: 56.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.68
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.68
Polar Surface Area: 58 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 176.1±5.0 cm3

Click to predict properties on the Chemicalize site


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