ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-2-(hydroxymethyl)-5-methoxybenzyl (9E)-9-octadecenoate | C37H60O5

4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-2-(hydroxymethyl)-5-methoxybenzyl (9E)-9-octadecenoate

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID78435964

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-9-Octadécénoate de 4-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-3-hydroxy-2-(hydroxyméthyl)-5-méthoxybenzyle [French] [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-2-(hydroxymethyl)-5-methoxybenzyl (9E)-9-octadecenoate [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3-hydroxy-2-(hydroxymethyl)-5-methoxybenzyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]methyl ester, (9E)- [ACD/Index Name]
Hericene B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 664.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 192.0±21.9 °C
Index of Refraction: 1.517
Molar Refractivity: 177.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 12.32
ACD/LogD (pH 5.5): 11.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 76 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 587.9±3.0 cm3

Click to predict properties on the Chemicalize site


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