ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl stearate | C37H60O5

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

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID28534152
  • Double-bond stereo - Double-bond stereo

More details:

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

[4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
157207-56-2 [RN]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl stearate [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester [ACD/Index Name]
Stéarate de 4-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2-formyl-3-hydroxy-5-méthoxybenzyle [French] [ACD/IUPAC Name]
{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate
Hericene C
Steric acid ester of 4(3',7'-dimethyl-2',6'-octadienyl)-2-formyl-3-hydroxyl-5-methoxylbenzyl alcohol

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 192.7±25.0 °C
Index of Refraction: 1.513
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 14.13
ACD/LogD (pH 5.5): 12.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 592.1±3.0 cm3

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