ChemSpider 2D Image | (1S,4aR,10aS)-7-(2-Hydroxy-2-propanyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenol | C19H28O2

(1S,4aR,10aS)-7-(2-Hydroxy-2-propanyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenol

  • Molecular FormulaC19H28O2
  • Average mass288.424 Da
  • Monoisotopic mass288.208923 Da
  • ChemSpider ID129310568

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4aR,10aS)-7-(2-Hydroxy-2-propanyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenol [German] [ACD/IUPAC Name]
(1S,4aR,10aS)-7-(2-Hydroxy-2-propanyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenol [ACD/IUPAC Name]
(1S,4aR,10aS)-7-(2-Hydroxy-2-propanyl)-1,4a-diméthyl-1,2,3,4,4a,9,10,10a-octahydro-1-phénanthrénol [French] [ACD/IUPAC Name]
2-Phenanthrenemethanol, 4b,5,6,7,8,8a,9,10-octahydro-8-hydroxy-α,α,4b,8-tetramethyl-, (4bR,8S,8aS)- [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: 413.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 185.8±23.3 °C
Index of Refraction: 1.557
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 981.34
ACD/KOC (pH 5.5): 4821.07
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 981.34
ACD/KOC (pH 7.4): 4821.07
Polar Surface Area: 40 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 266.1±3.0 cm3

Click to predict properties on the Chemicalize site


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