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Search term: LRGIELAZPCCUKY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R)-1,2,2-Trimethyl-3-oxocyclopentanecarboxylic acid | C9H14O3

(1R)-1,2,2-Trimethyl-3-oxocyclopentanecarboxylic acid

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID75226948

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1,2,2-Trimethyl-3-oxocyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R)-1,2,2-Trimethyl-3-oxocyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R)-1,2,2-triméthyl-3-oxocyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1,2,2-trimethyl-3-oxo-, (1R)- [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: 282.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.4±6.0 kJ/mol
Flash Point: 139.0±21.9 °C
Index of Refraction: 1.472
Molar Refractivity: 43.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 154.3±3.0 cm3

Click to predict properties on the Chemicalize site


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