ChemSpider 2D Image | 1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenecarbaldehyde | C15H24O2

1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenecarbaldehyde

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID24618058

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulencarbaldehyd [German] [ACD/IUPAC Name]
1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenecarbaldehyde [ACD/IUPAC Name]
1-(2-Hydroxy-2-propanyl)-3a-méthyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulènecarbaldéhyde [French] [ACD/IUPAC Name]
6-Azulenecarboxaldehyde, 1,2,3,3a,4,5,8,8a-octahydro-1-(1-hydroxy-1-methylethyl)-3a-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 348.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 148.4±13.0 °C
Index of Refraction: 1.555
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.60
ACD/KOC (pH 5.5): 862.12
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.60
ACD/KOC (pH 7.4): 862.12
Polar Surface Area: 37 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 218.3±3.0 cm3

Click to predict properties on the Chemicalize site


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