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Search term: VHRJMEHJSCAVKS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenyl]methyl acetate | C17H28O3

[1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenyl]methyl acetate

  • Molecular FormulaC17H28O3
  • Average mass280.402 Da
  • Monoisotopic mass280.203857 Da
  • ChemSpider ID24629949

  • 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-azulenyl]methyl acetate [ACD/IUPAC Name]
[1-(2-Hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenyl]methyl-acetat [German] [ACD/IUPAC Name]
1,6-Azulenedimethanol, 1,2,3,3a,4,5,8,8a-octahydro-α1,α1,3a-trimethyl-, 6-acetate [ACD/Index Name]
Acétate de [1-(2-hydroxy-2-propanyl)-3a-méthyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulényl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 368.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 141.9±15.9 °C
Index of Refraction: 1.500
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 653.61
ACD/KOC (pH 5.5): 3604.18
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 653.61
ACD/KOC (pH 7.4): 3604.18
Polar Surface Area: 47 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 269.3±3.0 cm3

Click to predict properties on the Chemicalize site


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