ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl palmitate | C35H56O5

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

  • Molecular FormulaC35H56O5
  • Average mass556.816 Da
  • Monoisotopic mass556.412781 Da
  • ChemSpider ID28289227

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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 hexadecanoate
157207-54-0 [RN]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl palmitate [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester [ACD/Index Name]
Palmitate 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 hexadecanoate
hericene A

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: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 189.6±25.0 °C
Index of Refraction: 1.516
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 13.06
ACD/LogD (pH 5.5): 12.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 559.1±3.0 cm3

Click to predict properties on the Chemicalize site


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