ChemSpider 2D Image | 4-Hydroxy-4-(3-hydroxy-1-buten-1-yl)-3,3,5-trimethylcyclohexanone | C13H22O3

4-Hydroxy-4-(3-hydroxy-1-buten-1-yl)-3,3,5-trimethylcyclohexanone

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID28686142

More details:

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

4-Hydroxy-4-(3-hydroxy-1-buten-1-yl)-3,3,5-trimethylcyclohexanon [German] [ACD/IUPAC Name]
4-Hydroxy-4-(3-hydroxy-1-buten-1-yl)-3,3,5-trimethylcyclohexanone [ACD/IUPAC Name]
4-Hydroxy-4-(3-hydroxy-1-butén-1-yl)-3,3,5-triméthylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 4-hydroxy-4-(3-hydroxy-1-buten-1-yl)-3,3,5-trimethyl- [ACD/Index Name]
142173-08-8 [RN]
4-Hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 177.1±24.4 °C
Index of Refraction: 1.542
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 109.17
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.94
ACD/KOC (pH 7.4): 109.17
Polar Surface Area: 58 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 207.1±3.0 cm3

Click to predict properties on the Chemicalize site


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