ChemSpider 2D Image | (2S,3S)-3-(2-Oxopropyl)-2-pentylcyclopentanone | C13H22O2

(2S,3S)-3-(2-Oxopropyl)-2-pentylcyclopentanone

  • Molecular FormulaC13H22O2
  • Average mass210.313 Da
  • Monoisotopic mass210.161987 Da
  • ChemSpider ID57551820

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-(2-Oxopropyl)-2-pentylcyclopentanon [German] [ACD/IUPAC Name]
(2S,3S)-3-(2-Oxopropyl)-2-pentylcyclopentanone [ACD/IUPAC Name]
(2S,3S)-3-(2-Oxopropyl)-2-pentylcyclopentanone [French] [ACD/IUPAC Name]
CYCLOPENTANONE, 3-(2-OXOPROPYL)-2-PENTYL-, (2S,3S)- [ACD/Index Name]
(2S,3S)-3-(2-Oxopropyl)-2-pentylcyclopentan-1-one
723301-59-5 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 313.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 117.3±17.4 °C
Index of Refraction: 1.453
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.06
ACD/KOC (pH 5.5): 556.46
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.06
ACD/KOC (pH 7.4): 556.46
Polar Surface Area: 34 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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