ChemSpider 2D Image | (1S,1aS,2aR,3S,5aR,7aR,7bS,7cS)-1-Hexyl-3-hydroxy-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acid | C20H28O3

(1S,1aS,2aR,3S,5aR,7aR,7bS,7cS)-1-Hexyl-3-hydroxy-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID29414680

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,1aS,2aR,3S,5aR,7aR,7bS,7cS)-1-Hexyl-3-hydroxy-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-5-carbonsäure [German] [ACD/IUPAC Name]
(1S,1aS,2aR,3S,5aR,7aR,7bS,7cS)-1-Hexyl-3-hydroxy-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acid [ACD/IUPAC Name]
1H-Cyclobut[bc]acenaphthylene-5-carboxylic acid, 1-hexyl-1a,2,2a,3,5a,7a,7b,7c-octahydro-3-hydroxy-, (1S,1aS,2aR,3S,5aR,7aR,7bS,7cS)- [ACD/Index Name]
Acide (1S,1aS,2aR,3S,5aR,7aR,7bS,7cS)-1-hexyl-3-hydroxy-1a,2,2a,3,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acénaphtylène-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 261.6±25.2 °C
Index of Refraction: 1.569
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 143.35
ACD/KOC (pH 5.5): 567.65
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 9.12
Polar Surface Area: 58 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement