ChemSpider 2D Image | {(1R,2S)-2-[(2E)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid | C12H18O4

{(1R,2S)-2-[(2E)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid

  • Molecular FormulaC12H18O4
  • Average mass226.269 Da
  • Monoisotopic mass226.120514 Da
  • ChemSpider ID107562563

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(1R,2S)-2-[(2E)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid [ACD/IUPAC Name]
{(1R,2S)-2-[(2E)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}essigsäure [German] [ACD/IUPAC Name]
Acide {(1R,2S)-2-[(2E)-5-hydroxy-2-pentén-1-yl]-3-oxocyclopentyl}acétique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 2-[(2E)-5-hydroxy-2-penten-1-yl]-3-oxo-, (1R,2S)- [ACD/Index Name]
2-[(1R,2S)-2-(5-Hydroxypent-2-enyl)-3-oxocyclopentyl]acetic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 227.7±18.3 °C
Index of Refraction: 1.514
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 195.6±3.0 cm3

Click to predict properties on the Chemicalize site


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