ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl stearate | C37H58O6

4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl stearate

  • Molecular FormulaC37H58O6
  • Average mass598.853 Da
  • Monoisotopic mass598.423340 Da
  • ChemSpider ID30777328

  • Double-bond stereo - Double-bond stereo

More details:

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

[4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
137592-04-2 [RN]
4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl stearate [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, [4-[(2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester [ACD/Index Name]
Stéarate de 4-[(2E)-3,7-diméthyl-5-oxo-2,6-octadién-1-yl]-2-formyl-3-hydroxy-5-méthoxybenzyle [French] [ACD/IUPAC Name]
{4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate
Bicyclo(3.2.0)hepta-2,6-diene
Bicyclo[3.2.0]hepta-2,6-diene [ACD/Index Name] [ACD/IUPAC Name]
Hericenone D

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 199.9±25.0 °C
Index of Refraction: 1.516
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 12.29
ACD/LogD (pH 5.5): 11.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 589.3±3.0 cm3

Click to predict properties on the Chemicalize site


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