ChemSpider 2D Image | 3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid | C22H32O4

3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID26459938

More details:

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

3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentylbenzoesäure [German] [ACD/IUPAC Name]
3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid [ACD/IUPAC Name]
Acide 3-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2,4-dihydroxy-6-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentyl- [ACD/Index Name]
3-(3,7-Dimethyl-2,6-octadien-1-yl)-2,4-dihydroxy-6-pentylbenzoesäure [German] [ACD/IUPAC Name]
3-(3,7-Dimethyl-2,6-octadien-1-yl)-2,4-dihydroxy-6-pentylbenzoic acid [ACD/IUPAC Name]
Acide 3-(3,7-diméthyl-2,6-octadién-1-yl)-2,4-dihydroxy-6-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(3,7-dimethyl-2,6-octadien-1-yl)-2,4-dihydroxy-6-pentyl- [ACD/Index Name]
cannabigerolate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 291.9±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 1992.56
ACD/KOC (pH 5.5): 1289.88
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 870.22
ACD/KOC (pH 7.4): 563.33
Polar Surface Area: 78 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

Click to predict properties on the Chemicalize site


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