ChemSpider 2D Image | (3aR,4S,7S,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol | C15H28O3

(3aR,4S,7S,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID114814442

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4S,7S,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-inden-4,7-diol [German] [ACD/IUPAC Name]
(3aR,4S,7S,7aS)-1-(2-Hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol [ACD/IUPAC Name]
(3aR,4S,7S,7aS)-1-(2-Hydroxy-2-méthylpropyl)-3a,7-diméthyloctahydro-1H-indène-4,7-diol [French] [ACD/IUPAC Name]
1H-Indene-4,7-diol, octahydro-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-, (3aR,4S,7S,7aS)- [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: 379.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 172.6±18.3 °C
Index of Refraction: 1.523
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.83
ACD/KOC (pH 5.5): 305.91
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.83
ACD/KOC (pH 7.4): 305.91
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

Click to predict properties on the Chemicalize site


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