ChemSpider 2D Image | 2-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ylidene]-1,3-cyclotetradecanedione | C34H50O2

2-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ylidene]-1,3-cyclotetradecanedione

  • Molecular FormulaC34H50O2
  • Average mass490.760 Da
  • Monoisotopic mass490.381073 Da
  • ChemSpider ID23237279

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Cyclotetradecanedione, 2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ylidene]- [ACD/Index Name]
2-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-yliden]-1,3-cyclotetradecandion [German] [ACD/IUPAC Name]
2-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ylidene]-1,3-cyclotetradecanedione [ACD/IUPAC Name]
2-[(2E,4E,6E,8E)-3,7-Diméthyl-9-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4,6,8-nonatétraén-1-ylidène]-1,3-cyclotétradécanedione [French] [ACD/IUPAC Name]
2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ylidene]cyclotetradecane-1,3-dione
2-[3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenylidene]-cyclotetradecane-1,3-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL355492/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 649.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 233.5±20.2 °C
Index of Refraction: 1.547
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.86
ACD/LogD (pH 5.5): 9.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3866953.75
ACD/LogD (pH 7.4): 9.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3866953.75
Polar Surface Area: 34 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 499.5±3.0 cm3

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