ChemSpider 2D Image | 2,4,4-Trimethyl-3-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(3,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl]-2-cyclohexen-1-one | C40H52O2

2,4,4-Trimethyl-3-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(3,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl]-2-cyclohexen-1-one

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID4474922

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4,4-Trimethyl-3-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(3,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2,4,4-Trimethyl-3-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(3,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl]-2-cyclohexen-1-one [ACD/IUPAC Name]
2,4,4-Triméthyl-3-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tétraméthyl-18-(3,6,6-triméthyl-4-oxo-2-cyclohexén-1-yl)-1,3,5,7,9,11,13,15,17-octadécanonaén-1-yl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(3,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 706.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 250.8±29.9 °C
Index of Refraction: 1.573
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.73
ACD/LogD (pH 5.5): 9.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3377000.00
ACD/LogD (pH 7.4): 9.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3377000.00
Polar Surface Area: 34 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 565.1±3.0 cm3

Click to predict properties on the Chemicalize site


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