ChemSpider 2D Image | [(2S,5R,6R,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]dec-2-yl]methanol | C13H24O3

[(2S,5R,6R,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]dec-2-yl]methanol

  • Molecular FormulaC13H24O3
  • Average mass228.328 Da
  • Monoisotopic mass228.172546 Da
  • ChemSpider ID34987387

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,5R,6R,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]dec-2-yl]methanol [German] [ACD/IUPAC Name]
[(2S,5R,6R,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]dec-2-yl]methanol [ACD/IUPAC Name]
[(2S,5R,6R,9R)-6-Isopropyl-9-méthyl-1,4-dioxaspiro[4.5]déc-2-yl]méthanol [French] [ACD/IUPAC Name]
1,4-Dioxaspiro[4.5]decane-2-methanol, 9-methyl-6-(1-methylethyl)-, (2S,5R,6R,9R)- [ACD/Index Name]
63187-91-7 [RN]
MENTHONE 1,2-GLYCEROL KETAL, (±)-
UNII-7QQ1EE6RCP

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

Density: 1.0±0.1 g/cm3
Boiling Point: 322.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.5±6.0 kJ/mol
Flash Point: 159.7±4.7 °C
Index of Refraction: 1.489
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.25
ACD/KOC (pH 5.5): 1129.71
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.25
ACD/KOC (pH 7.4): 1129.71
Polar Surface Area: 39 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 36.6±5.0 dyne/cm
Molar Volume: 218.6±5.0 cm3

Click to predict properties on the Chemicalize site


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