ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-2-propylbenzoic acid | C20H28O4

4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-2-propylbenzoic acid

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID58828738

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-2-propylbenzoesäure [German] [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-2-propylbenzoic acid [ACD/IUPAC Name]
Acide 4-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-3,5-dihydroxy-2-propylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-2-propyl- [ACD/Index Name]
Cannabigerovarinic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 514.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 279.3±26.6 °C
Index of Refraction: 1.564
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 482.94
ACD/KOC (pH 5.5): 967.53
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 22.25
ACD/KOC (pH 7.4): 44.58
Polar Surface Area: 78 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 299.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement