ChemSpider 2D Image | 2-[(1R,2S,3aR,7aR)-2-Butyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]ethanol | C15H26O

2-[(1R,2S,3aR,7aR)-2-Butyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]ethanol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID29303517

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Indene-1-ethanol, 2-butyl-2,3,3a,4,7,7a-hexahydro-, (1R,2S,3aR,7aR)- [ACD/Index Name]
2-[(1R,2S,3aR,7aR)-2-Butyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]ethanol [ACD/IUPAC Name]
2-[(1R,2S,3aR,7aR)-2-Butyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]ethanol [German] [ACD/IUPAC Name]
2-[(1R,2S,3aR,7aR)-2-Butyl-2,3,3a,4,7,7a-hexahydro-1H-indén-1-yl]éthanol [French] [ACD/IUPAC Name]
2-((1R,2S,3aR,7aR)-2-Butyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl)ethanol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 320.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.2±6.0 kJ/mol
Flash Point: 119.3±15.6 °C
Index of Refraction: 1.484
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1259.37
ACD/KOC (pH 5.5): 5763.54
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1259.37
ACD/KOC (pH 7.4): 5763.54
Polar Surface Area: 20 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 239.6±3.0 cm3

Click to predict properties on the Chemicalize site


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