ChemSpider 2D Image | (2S,5R,6R,11S)-11-Hydroxy-2-(2-hydroxy-2-propanyl)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-8-one | C15H24O4

(2S,5R,6R,11S)-11-Hydroxy-2-(2-hydroxy-2-propanyl)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-8-one

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID24737454

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(2S,5R,6R,11S)-11-Hydroxy-2-(2-hydroxy-2-propanyl)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-8-on [German] [ACD/IUPAC Name]
(2S,5R,6R,11S)-11-Hydroxy-2-(2-hydroxy-2-propanyl)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-8-one [ACD/IUPAC Name]
(2S,5R,6R,11S)-11-Hydroxy-2-(2-hydroxy-2-propanyl)-5,9-diméthyl-1-oxaspiro[5.5]undéc-9-én-8-one [French] [ACD/IUPAC Name]
1-Oxaspiro[5.5]undec-9-en-8-one, 11-hydroxy-2-(1-hydroxy-1-methylethyl)-5,9-dimethyl-, (2S,5R,6R,11S)- [ACD/Index Name]
(2S,5R,6R,11S)-11-hydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-1-oxaspiro[5.5]undec-9-en-8-one
5-hydroxy-8-(1-hydroxyisopropyl)-3,11-dimethyl-7-
heliespirone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 163.1±22.2 °C
Index of Refraction: 1.531
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.23
ACD/KOC (pH 5.5): 183.84
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.23
ACD/KOC (pH 7.4): 183.84
Polar Surface Area: 67 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 232.5±5.0 cm3

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