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ChemSpider 2D Image | 1-({(2E)-3,7-Dimethyl-1-[(11-methyldodecyl)oxy]-2,6-octadien-1-yl}oxy)-11-methyldodecane | C36H70O2

1-({(2E)-3,7-Dimethyl-1-[(11-methyldodecyl)oxy]-2,6-octadien-1-yl}oxy)-11-methyldodecane

  • Molecular FormulaC36H70O2
  • Average mass534.940 Da
  • Monoisotopic mass534.537598 Da
  • ChemSpider ID13980444

  • Double-bond stereo - Double-bond stereo

More details:

Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1-({(2E)-3,7-Dimethyl-1-[(11-methyldodecyl)oxy]-2,6-octadien-1-yl}oxy)-11-methyldodecan [German] [ACD/IUPAC Name]
1-({(2E)-3,7-Dimethyl-1-[(11-methyldodecyl)oxy]-2,6-octadien-1-yl}oxy)-11-methyldodecane [ACD/IUPAC Name]
1-({(2E)-3,7-Diméthyl-1-[(11-méthyldodécyl)oxy]-2,6-octadién-1-yl}oxy)-11-méthyldodécane [French] [ACD/IUPAC Name]
Dodecane, 1,1'-[[(2E)-3,7-dimethyl-2,6-octadien-1-ylidene]bis(oxy)]bis[11-methyl- [ACD/Index Name]
1-({3,7-DIMETHYL-1-[(11-METHYLDODECYL)OXY]OCTA-2,6-DIEN-1-YL}OXY)-11-METHYLDODECANE

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

Density: 0.9±0.0 g/cm3
Boiling Point: 581.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 83.7±0.0 kJ/mol
Flash Point: 54.9±0.0 °C
Index of Refraction: 1.463
Molar Refractivity: 172.0±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 16.15
ACD/LogD (pH 5.5): 16.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 68.2±0.0 10-24cm3
Surface Tension: 30.3±0.0 dyne/cm
Molar Volume: 623.5±0.0 cm3

Click to predict properties on the Chemicalize site


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