ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl (9E)-9-octadecenoate | C37H58O5

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

  • Molecular FormulaC37H58O5
  • Average mass582.853 Da
  • Monoisotopic mass582.428406 Da
  • ChemSpider ID28534151

  • 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]-2-formyl-3-hydroxy-5-méthoxybenzyle [French] [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl (9E)-9-octadecenoate [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxybenzyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester, (9E)- [ACD/Index Name]
{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9E)-octadec-9-enoate
157207-55-1 [RN]
4-[(2E)-3,7-dimethyl-octa-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxy-benzyl-octadec-9-enoate
Hericene B
Oleic 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, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 195.2±25.0 °C
Index of Refraction: 1.520
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 13.61
ACD/LogD (pH 5.5): 12.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.14
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: 37.6±3.0 dyne/cm
Molar Volume: 585.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement