ChemSpider 2D Image | (1S,5R)-5-Hydroxy-5-(hydroxymethyl)-4-oxo-2-cyclopenten-1-yl acetate | C8H10O5

(1S,5R)-5-Hydroxy-5-(hydroxymethyl)-4-oxo-2-cyclopenten-1-yl acetate

  • Molecular FormulaC8H10O5
  • Average mass186.162 Da
  • Monoisotopic mass186.052826 Da
  • ChemSpider ID61592546

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-5-Hydroxy-5-(hydroxymethyl)-4-oxo-2-cyclopenten-1-yl acetate [ACD/IUPAC Name]
(1S,5R)-5-Hydroxy-5-(hydroxymethyl)-4-oxo-2-cyclopenten-1-yl-acetat [German] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 4-(acetyloxy)-5-hydroxy-5-(hydroxymethyl)-, (4S,5R)- [ACD/Index Name]
Acétate de (1S,5R)-5-hydroxy-5-(hydroxyméthyl)-4-oxo-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
77480-53-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 339.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 139.7±21.4 °C
Index of Refraction: 1.547
Molar Refractivity: 42.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.94
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.94
Polar Surface Area: 84 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 132.4±5.0 cm3

Click to predict properties on the Chemicalize site


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