ChemSpider 2D Image | Methyl (2E,6E,10E)-9,13-dihydroxy-5-methoxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoate | C31H56O5

Methyl (2E,6E,10E)-9,13-dihydroxy-5-methoxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoate

  • Molecular FormulaC31H56O5
  • Average mass508.773 Da
  • Monoisotopic mass508.412781 Da
  • ChemSpider ID8476525

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E,10E)-9,13-Dihydroxy-5-méthoxy-2,4,6,8,10,12,14,16,18-nonaméthyl-2,6,10-icosatriénoate de méthyle [French] [ACD/IUPAC Name]
2,6,10-Eicosatrienoic acid, 9,13-dihydroxy-5-methoxy-2,4,6,8,10,12,14,16,18-nonamethyl-, methyl ester, (2E,6E,10E)- [ACD/Index Name]
Methyl (2E,6E,10E)-9,13-dihydroxy-5-methoxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoate [ACD/IUPAC Name]
Methyl-(2E,6E,10E)-9,13-dihydroxy-5-methoxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 172.8±23.6 °C
Index of Refraction: 1.485
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 308354.91
ACD/KOC (pH 5.5): 295553.69
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 308354.91
ACD/KOC (pH 7.4): 295553.69
Polar Surface Area: 76 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 528.7±3.0 cm3

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