Found 3 results

Search term: KJFHGWKWDORWRJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,5R)-2-(2-Hydroxyethyl)-1,6-dioxaspiro[4.5]dec-8-en-4-one | C10H14O4

(2S,5R)-2-(2-Hydroxyethyl)-1,6-dioxaspiro[4.5]dec-8-en-4-one

  • Molecular FormulaC10H14O4
  • Average mass198.216 Da
  • Monoisotopic mass198.089203 Da
  • ChemSpider ID110549402

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-2-(2-Hydroxyethyl)-1,6-dioxaspiro[4.5]dec-8-en-4-on [German] [ACD/IUPAC Name]
(2S,5R)-2-(2-Hydroxyethyl)-1,6-dioxaspiro[4.5]dec-8-en-4-one [ACD/IUPAC Name]
(2S,5R)-2-(2-Hydroxyéthyl)-1,6-dioxaspiro[4.5]déc-8-én-4-one [French] [ACD/IUPAC Name]
1,6-Dioxaspiro[4.5]dec-8-en-4-one, 2-(2-hydroxyethyl)-, (2S,5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 360.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 144.3±21.4 °C
Index of Refraction: 1.536
Molar Refractivity: 49.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.88
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.88
Polar Surface Area: 56 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 158.1±5.0 cm3

Click to predict properties on the Chemicalize site


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