ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl (9Z,12Z)-9,12-octadecadienoate | C37H54O6

4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC37H54O6
  • Average mass594.821 Da
  • Monoisotopic mass594.392029 Da
  • ChemSpider ID78434647

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate 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-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (9Z,12Z)-9,12-octadecadienoate
137592-05-3 [RN]
4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, [4-[(2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester, (9Z,12Z)- [ACD/Index Name]
Hericenone E

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

Density: 1.0±0.1 g/cm3
Boiling Point: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 204.3±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 178.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 11.25
ACD/LogD (pH 5.5): 9.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4134124.50
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2135536.00
Polar Surface Area: 90 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 576.5±3.0 cm3

Click to predict properties on the Chemicalize site


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