ChemSpider 2D Image | 3-Methyl-4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one | C14H22O

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

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID21162399

More details:

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

267-149-3 [EINECS]
3-Buten-2-one, 3-methyl-4-(2,4,6-trimethyl-3-cyclohexen-1-yl)- [ACD/Index Name]
3-Methyl-4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-on [German] [ACD/IUPAC Name]
3-Methyl-4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one [ACD/IUPAC Name]
3-Méthyl-4-(2,4,6-triméthyl-3-cyclohexén-1-yl)-3-butén-2-one [French] [ACD/IUPAC Name]
3-Methyl-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one
67801-29-0 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 293.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 126.8±14.7 °C
Index of Refraction: 1.505
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 983.28
ACD/KOC (pH 5.5): 4827.92
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 983.28
ACD/KOC (pH 7.4): 4827.92
Polar Surface Area: 17 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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