ChemSpider 2D Image | (1R,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-Tetramethylhexadecahydro-4-pyrenol | C20H34O

(1R,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-Tetramethylhexadecahydro-4-pyrenol

  • Molecular FormulaC20H34O
  • Average mass290.483 Da
  • Monoisotopic mass290.260956 Da
  • ChemSpider ID76963370

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-Tetramethylhexadecahydro-4-pyrenol [German] [ACD/IUPAC Name]
(1R,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-Tetramethylhexadecahydro-4-pyrenol [ACD/IUPAC Name]
(1R,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-Tétraméthylhexadécahydro-4-pyrénol [French] [ACD/IUPAC Name]
4-Pyrenol, hexadecahydro-1,4,5a,8a-tetramethyl-, (1R,4S,5aR,8aS,10aS,10bR,10cS)- [ACD/Index Name]
(1R,3aR,4S,5aR,8aS,10aS,10bR,10cS)-1,4,5a,8a-tetramethylhexadecahydropyren-4-ol
hydropyrenol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 372.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 156.8±11.5 °C
Index of Refraction: 1.516
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 43180.41
ACD/KOC (pH 5.5): 72363.73
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 43180.41
ACD/KOC (pH 7.4): 72363.73
Polar Surface Area: 20 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 291.8±3.0 cm3

Click to predict properties on the Chemicalize site


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