ChemSpider 2D Image | (3S,5R,10S)-10-Hydroxy-3-(2-iodo-2-propanyl)-2-oxaspiro[4.5]dec-6-en-1-one | C12H17IO3

(3S,5R,10S)-10-Hydroxy-3-(2-iodo-2-propanyl)-2-oxaspiro[4.5]dec-6-en-1-one

  • Molecular FormulaC12H17IO3
  • Average mass336.166 Da
  • Monoisotopic mass336.022217 Da
  • ChemSpider ID30658769

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,5R,10S)-10-Hydroxy-3-(2-iod-2-propanyl)-2-oxaspiro[4.5]dec-6-en-1-on [German] [ACD/IUPAC Name]
(3S,5R,10S)-10-Hydroxy-3-(2-iodo-2-propanyl)-2-oxaspiro[4.5]dec-6-en-1-one [ACD/IUPAC Name]
(3S,5R,10S)-10-Hydroxy-3-(2-iodo-2-propanyl)-2-oxaspiro[4.5]déc-6-én-1-one [French] [ACD/IUPAC Name]
2-Oxaspiro[4.5]dec-6-en-1-one, 10-hydroxy-3-(1-iodo-1-methylethyl)-, (3S,5R,10S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 452.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 227.5±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.78
ACD/KOC (pH 5.5): 262.03
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.78
ACD/KOC (pH 7.4): 262.03
Polar Surface Area: 47 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 205.6±5.0 cm3

Click to predict properties on the Chemicalize site


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