ChemSpider 2D Image | Methyl (1R,2S)-3-oxo-2-pentylcyclopentanecarboxylate | C12H20O3

Methyl (1R,2S)-3-oxo-2-pentylcyclopentanecarboxylate

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID29289713
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2S)-3-Oxo-2-pentylcyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1271488-66-4 [RN]
Cyclopentanecarboxylic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2S)- [ACD/Index Name]
L5VTJ B5 CVO1 &&trans Form [WLN]
Methyl (1R,2S)-3-oxo-2-pentylcyclopentanecarboxylate [ACD/IUPAC Name]
Methyl trans-3-oxo-2-pentylcyclopentanecarboxylate
Methyl-(1R,2S)-3-oxo-2-pentylcyclopentancarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 291.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 123.5±25.4 °C
Index of Refraction: 1.459
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.06
ACD/KOC (pH 5.5): 629.24
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.06
ACD/KOC (pH 7.4): 629.24
Polar Surface Area: 43 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 209.9±3.0 cm3

Click to predict properties on the Chemicalize site






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