ChemSpider 2D Image | {(1S,2R,3S)-3-Hydroxy-2-[(2E)-2-penten-1-yl]cyclopentyl}acetic acid | C12H20O3

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

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID31044451

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(1S,2R,3S)-3-Hydroxy-2-[(2E)-2-penten-1-yl]cyclopentyl}acetic acid [ACD/IUPAC Name]
{(1S,2R,3S)-3-Hydroxy-2-[(2E)-2-penten-1-yl]cyclopentyl}essigsäure [German] [ACD/IUPAC Name]
Acide {(1S,2R,3S)-3-hydroxy-2-[(2E)-2-pentén-1-yl]cyclopentyl}acétique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 3-hydroxy-2-[(2E)-2-penten-1-yl]-, (1S,2R,3S)- [ACD/Index Name]
3α-HYDROXY-2β-(2Z-PENTENYL)-CYCLOPENTANE-1β-ACETIC ACID
58240-50-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 364.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 188.4±16.9 °C
Index of Refraction: 1.504
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 42.26
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

Click to predict properties on the Chemicalize site


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