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Search term: ZTEAIIVUHZBCFL-RMHZUWNSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,3aR,5S,7aS)-5-(4-Hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol | C17H24O2

(1S,3aR,5S,7aS)-5-(4-Hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol

  • Molecular FormulaC17H24O2
  • Average mass260.371 Da
  • Monoisotopic mass260.177643 Da
  • ChemSpider ID26391574

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3aR,5S,7aS)-5-(4-Hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol [German] [ACD/IUPAC Name]
(1S,3aR,5S,7aS)-5-(4-Hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol [ACD/IUPAC Name]
(1S,3aR,5S,7aS)-5-(4-Hydroxy-2-méthylphényl)-7a-méthyloctahydro-1H-indén-1-ol [French] [ACD/IUPAC Name]
1H-Inden-1-ol, octahydro-5-(4-hydroxy-2-methylphenyl)-7a-methyl-, (1S,3aR,5S,7aS)- [ACD/Index Name]
5CQ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 417.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 194.6±23.3 °C
Index of Refraction: 1.579
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 340.29
ACD/KOC (pH 5.5): 2258.93
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.90
ACD/KOC (pH 7.4): 2256.35
Polar Surface Area: 40 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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