ChemSpider 2D Image | 4-[(1S,4R)-4-Hydroxy-1,2,2-trimethylcyclopentyl]benzoic acid | C15H20O3

4-[(1S,4R)-4-Hydroxy-1,2,2-trimethylcyclopentyl]benzoic acid

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID78439444

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(1S,4R)-4-Hydroxy-1,2,2-trimethylcyclopentyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(1S,4R)-4-Hydroxy-1,2,2-trimethylcyclopentyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(1S,4R)-4-hydroxy-1,2,2-triméthylcyclopentyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]- [ACD/Index Name]
Flamvelutpenoid E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 387.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 202.5±24.4 °C
Index of Refraction: 1.551
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 22.28
ACD/KOC (pH 5.5): 145.34
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.60
Polar Surface Area: 58 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 219.3±3.0 cm3

Click to predict properties on the Chemicalize site


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