ChemSpider 2D Image | (5R,8S)-3,3,5,8-Tetramethyl-3,5,6,7,8,9-hexahydro-9aH-azuleno[6,5-c][1,2]dioxol-9a-ol | C15H22O3

(5R,8S)-3,3,5,8-Tetramethyl-3,5,6,7,8,9-hexahydro-9aH-azuleno[6,5-c][1,2]dioxol-9a-ol

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID28283975
  • defined stereocentres - 2 of 3 defined stereocentres


More details:



Featured data source



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

(5R,8S)-3,3,5,8-Tetramethyl-3,5,6,7,8,9-hexahydro-9aH-azuleno[6,5-c][1,2]dioxol-9a-ol [German] [ACD/IUPAC Name]
(5R,8S)-3,3,5,8-Tetramethyl-3,5,6,7,8,9-hexahydro-9aH-azuleno[6,5-c][1,2]dioxol-9a-ol [ACD/IUPAC Name]
(5R,8S)-3,3,5,8-Tétraméthyl-3,5,6,7,8,9-hexahydro-9aH-azuléno[6,5-c][1,2]dioxol-9a-ol [French] [ACD/IUPAC Name]
9aH-Azuleno[6,5-c]-1,2-dioxol-9a-ol, 3,5,6,7,8,9-hexahydro-3,3,5,8-tetramethyl-, (5R,8S)- [ACD/Index Name]
dioxosarcoguaiacol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 358.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 170.6±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 289.40
ACD/KOC (pH 5.5): 2011.63
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.40
ACD/KOC (pH 7.4): 2011.62
Polar Surface Area: 39 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

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