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Search term: BUOADWXGPJXKRM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate | C16H26O5

5-Hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate

  • Molecular FormulaC16H26O5
  • Average mass298.375 Da
  • Monoisotopic mass298.178009 Da
  • ChemSpider ID22370182

More details:

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

3-Méthylpentanoate de 5-hydroxy-3-(hydroxyméthyl)-6-isopropyl-2-oxo-3-cyclohexén-1-yle [French] [ACD/IUPAC Name]
5-Hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate [ACD/IUPAC Name]
5-Hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl-3-methylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 3-methyl-, 5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester [ACD/Index Name]
[5-Hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate
Compound NP-006766

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

Density: 1.1±0.1 g/cm3
Boiling Point: 441.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 155.1±22.2 °C
Index of Refraction: 1.506
Molar Refractivity: 78.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.05
ACD/KOC (pH 5.5): 242.41
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.05
ACD/KOC (pH 7.4): 242.40
Polar Surface Area: 84 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

Click to predict properties on the Chemicalize site


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