ChemSpider 2D Image | 2-{3-Hydroxy-4-[(2E)-6-methyl-2-hepten-2-yl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol | C29H34O4

2-{3-Hydroxy-4-[(2E)-6-methyl-2-hepten-2-yl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol

  • Molecular FormulaC29H34O4
  • Average mass446.578 Da
  • Monoisotopic mass446.245697 Da
  • ChemSpider ID29212843

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{3-Hydroxy-4-[(2E)-6-methyl-2-hepten-2-yl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol [German] [ACD/IUPAC Name]
2-{3-Hydroxy-4-[(2E)-6-methyl-2-hepten-2-yl]benzyl}-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol [ACD/IUPAC Name]
2-{3-Hydroxy-4-[(2E)-6-méthyl-2-heptén-2-yl]benzyl}-5-(3-hydroxy-5-méthylphénoxy)-3-méthylphénol [French] [ACD/IUPAC Name]
Phenol, 2-[[4-[(1E)-1,5-dimethyl-1-hexen-1-yl]-3-hydroxyphenyl]methyl]-5-(3-hydroxy-5-methylphenoxy)-3-methyl- [ACD/Index Name]
expansol D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 326.3±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 135.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.52
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 307308.50
ACD/KOC (pH 5.5): 294818.63
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 302516.53
ACD/KOC (pH 7.4): 290221.41
Polar Surface Area: 70 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

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