ChemSpider 2D Image | 1-(4-Methoxy-2,3,6-trimethylphenyl)-3-methyl-1,4-pentadien-3-ol | C16H22O2

1-(4-Methoxy-2,3,6-trimethylphenyl)-3-methyl-1,4-pentadien-3-ol

  • Molecular FormulaC16H22O2
  • Average mass246.345 Da
  • Monoisotopic mass246.161987 Da
  • ChemSpider ID21161599

More details:

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

1-(4-Methoxy-2,3,6-trimethylphenyl)-3-methyl-1,4-pentadien-3-ol [ACD/IUPAC Name]
1-(4-Methoxy-2,3,6-trimethylphenyl)-3-methyl-1,4-pentadien-3-ol [German] [ACD/IUPAC Name]
1-(4-Méthoxy-2,3,6-triméthylphényl)-3-méthyl-1,4-pentadién-3-ol [French] [ACD/IUPAC Name]
1-(4-Methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol
1,4-Pentadien-3-ol, 1-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl- [ACD/Index Name]
259-323-2 [EINECS]
54757-48-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 391.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 167.7±20.7 °C
Index of Refraction: 1.552
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 696.02
ACD/KOC (pH 5.5): 3770.08
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 696.02
ACD/KOC (pH 7.4): 3770.08
Polar Surface Area: 29 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

Click to predict properties on the Chemicalize site


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