ChemSpider 2D Image | 2-Methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]-2H-chromen-5-ol | C21H21D9O2

2-Methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromen-5-ol

  • Molecular FormulaC21H21D9O2
  • Average mass323.517 Da
  • Monoisotopic mass323.281067 Da
  • ChemSpider ID34450857
  • Non-standard isotope - Non-standard isotope


More details:






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

2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-penten-1-yl)-7-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index Name]
2-Methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromen-5-ol [German] [ACD/IUPAC Name]
2-Methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromen-5-ol [ACD/IUPAC Name]
2-Méthyl-2-(4-méthyl-3-pentén-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromén-5-ol [French] [ACD/IUPAC Name]
(?)-Cannabichromene-d9
(??)-Cannabichromene-d9
(±)-Cannabichromene-d9
2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-d9-2H-1-benzopyran-5-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 428.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 174.2±23.0 °C
Index of Refraction: 1.527
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 187578.22
ACD/KOC (pH 5.5): 207067.55
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 186615.80
ACD/KOC (pH 7.4): 206005.14
Polar Surface Area: 29 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 316.8±3.0 cm3

Click to predict properties on the Chemicalize site






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