ChemSpider 2D Image | 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-pentyl-1,3-benzenediol | C21H32O2

4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-pentyl-1,3-benzenediol

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID24711106

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5-pentyl- [ACD/Index Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-pentyl-1,3-benzenediol [ACD/IUPAC Name]
4-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-5-pentyl-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-pentyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
Abnormal cannabigerol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL502271/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 204.1±23.3 °C
Index of Refraction: 1.536
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 78050.20
ACD/KOC (pH 5.5): 110543.65
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77673.80
ACD/KOC (pH 7.4): 110010.54
Polar Surface Area: 40 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

Click to predict properties on the Chemicalize site


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