ChemSpider 2D Image | 4-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one | C13H20O2

4-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

  • Molecular FormulaC13H20O2
  • Average mass208.297 Da
  • Monoisotopic mass208.146332 Da
  • ChemSpider ID57561297

More details:

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

3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- [ACD/Index Name]
4-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on [German] [ACD/IUPAC Name]
4-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one [ACD/IUPAC Name]
4-(3-Hydroxy-2,6,6-triméthyl-1-cyclohexén-1-yl)-3-butén-2-one [French] [ACD/IUPAC Name]
14398-34-6 [RN]
4-(3-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 335.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.0±6.0 kJ/mol
Flash Point: 142.5±15.8 °C
Index of Refraction: 1.544
Molar Refractivity: 63.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.07
ACD/KOC (pH 5.5): 675.97
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.07
ACD/KOC (pH 7.4): 675.97
Polar Surface Area: 37 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement