ChemSpider 2D Image | (2aS,5R,6aR,7aR)-5-(Hydroxymethyl)-3,5,7a-trimethyl-1,2,4,5,6,6a,7,7a-octahydro-2aH-cyclobuta[f]inden-2a-ol | C15H24O2

(2aS,5R,6aR,7aR)-5-(Hydroxymethyl)-3,5,7a-trimethyl-1,2,4,5,6,6a,7,7a-octahydro-2aH-cyclobuta[f]inden-2a-ol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID78440686

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2aS,5R,6aR,7aR)-5-(Hydroxymethyl)-3,5,7a-trimethyl-1,2,4,5,6,6a,7,7a-octahydro-2aH-cyclobuta[f]inden-2a-ol [German] [ACD/IUPAC Name]
(2aS,5R,6aR,7aR)-5-(Hydroxymethyl)-3,5,7a-trimethyl-1,2,4,5,6,6a,7,7a-octahydro-2aH-cyclobuta[f]inden-2a-ol [ACD/IUPAC Name]
(2aS,5R,6aR,7aR)-5-(Hydroxyméthyl)-3,5,7a-triméthyl-1,2,4,5,6,6a,7,7a-octahydro-2aH-cyclobuta[f]indén-2a-ol [French] [ACD/IUPAC Name]
1H-Cyclobut[f]indene-5-methanol, 2,2a,4,5,6,6a,7,7a-octahydro-2a-hydroxy-3,5,7a-trimethyl-, (2aS,5R,6aR,7aR)- [ACD/Index Name]
Sterpurol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.0±6.0 kJ/mol
Flash Point: 156.3±15.5 °C
Index of Refraction: 1.561
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.78
ACD/KOC (pH 5.5): 441.45
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.78
ACD/KOC (pH 7.4): 441.45
Polar Surface Area: 40 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 209.5±5.0 cm3

Click to predict properties on the Chemicalize site


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