ChemSpider 2D Image | UNII:4DAS66OCPK | C12H22O2

UNII:4DAS66OCPK

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID21105882

More details:






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

1,3-Dioxolane, 2-(1,5-dimethyl-4-hexen-1-yl)-4-methyl- [ACD/Index Name]
4-Methyl-2-(6-methyl-5-hepten-2-yl)-1,3-dioxolan [German] [ACD/IUPAC Name]
4-Methyl-2-(6-methyl-5-hepten-2-yl)-1,3-dioxolane [ACD/IUPAC Name]
4-Méthyl-2-(6-méthyl-5-heptén-2-yl)-1,3-dioxolane [French] [ACD/IUPAC Name]
UNII:4DAS66OCPK
1,3-Dioxolane, 2-(1,5-dimethyl-4-hexenyl)-4-methyl-;Melonal PG Acetal
2-(1,5-Dimethyl-4-hexenyl)-4-methyl-1,3-dioxolane
2,6-DIMETHYL-5-HEPTENAL PROPYLENE GLYCOL ACETAL
2,6-DIMETHYL-5-HEPTENAL PROPYLENEGLYCOL ACETAL
4-Methyl-2-(6-methylhept-5-en-2-yl)-1,3-dioxolane
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 247.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 105.5±16.0 °C
Index of Refraction: 1.449
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.99
ACD/KOC (pH 5.5): 1888.67
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.99
ACD/KOC (pH 7.4): 1888.67
Polar Surface Area: 18 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 218.9±3.0 cm3

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