ChemSpider 2D Image | 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one | C14H22O

1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID21172748

More details:

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

1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-on [German] [ACD/IUPAC Name]
1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one [ACD/IUPAC Name]
1-(2,6,6-Triméthyl-3-cyclohexén-1-yl)-1-pentén-3-one [French] [ACD/IUPAC Name]
1-(2,6,6-Trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
1-Penten-3-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- [ACD/Index Name]
232-074-7 [EINECS]
7784-98-7 [RN]
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one
δ-ionone, methyl-

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

Density: 0.9±0.1 g/cm3
Boiling Point: 285.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 122.2±14.7 °C
Index of Refraction: 1.504
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.26
ACD/KOC (pH 5.5): 3382.98
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 598.26
ACD/KOC (pH 7.4): 3382.98
Polar Surface Area: 17 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


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