ChemSpider 2D Image | 5-[(8Z)-16-(3,5-Dihydroxyphenyl)-8-hexadecen-1-yl]-2-methyl-1,3-benzenediol | C29H42O4

5-[(8Z)-16-(3,5-Dihydroxyphenyl)-8-hexadecen-1-yl]-2-methyl-1,3-benzenediol

  • Molecular FormulaC29H42O4
  • Average mass454.641 Da
  • Monoisotopic mass454.308319 Da
  • ChemSpider ID28286600

  • 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

1,3-Benzenediol, 5-[(8Z)-16-(3,5-dihydroxyphenyl)-8-hexadecen-1-yl]-2-methyl- [ACD/Index Name]
5-[(8Z)-16-(3,5-Dihydroxyphenyl)-8-hexadecen-1-yl]-2-methyl-1,3-benzenediol [ACD/IUPAC Name]
5-[(8Z)-16-(3,5-Dihydroxyphényl)-8-hexadécén-1-yl]-2-méthyl-1,3-benzènediol [French] [ACD/IUPAC Name]
5-[(8Z)-16-(3,5-Dihydroxyphenyl)-8-hexadecen-1-yl]-2-methyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
2-methyl-5,5'-(8(Z)-hexadecen-1,16-diyl)bisresorcinol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 656.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 277.1±24.7 °C
Index of Refraction: 1.573
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 828093.50
ACD/KOC (pH 5.5): 599397.25
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 819704.25
ACD/KOC (pH 7.4): 593324.88
Polar Surface Area: 81 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

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