ChemSpider 2D Image | [(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid | C10H16O3

[(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID57536170

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid [ACD/IUPAC Name]
[(1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl]essigsäure [German] [ACD/IUPAC Name]
Acide [(1R,3S)-2,2,3-triméthyl-4-oxocyclopentyl]acétique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 2,2,3-trimethyl-4-oxo-, (1R,3S)- [ACD/Index Name]
2-((1R,3S)-2,2,3-Trimethyl-4-oxocyclopentyl)acetic acid
24268-17-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 311.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.7±6.0 kJ/mol
Flash Point: 156.2±16.9 °C
Index of Refraction: 1.460
Molar Refractivity: 48.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.26
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

Click to predict properties on the Chemicalize site


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