ChemSpider 2D Image | (1R,9R,12R)-12-Isopropenyl-9-methyl-5-pentyl-8-oxatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-3-ol | C21H30O2

(1R,9R,12R)-12-Isopropenyl-9-methyl-5-pentyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID58828779

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,9R,12R)-12-Isopropenyl-9-methyl-5-pentyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol [German] [ACD/IUPAC Name]
(1R,9R,12R)-12-Isopropenyl-9-methyl-5-pentyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol [ACD/IUPAC Name]
(1R,9R,12R)-12-Isopropényl-9-méthyl-5-pentyl-8-oxatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-3-ol [French] [ACD/IUPAC Name]
2,6-Methano-2H-1-benzoxocin-7-ol, 3,4,5,6-tetrahydro-2-methyl-5-(1-methylethenyl)-9-pentyl-, (2R,5R,6R)- [ACD/Index Name]
δ7-trans-Isotetrahydrocannabinol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 390.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 149.6±22.1 °C
Index of Refraction: 1.542
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 112859.08
ACD/KOC (pH 5.5): 143939.27
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 112522.41
ACD/KOC (pH 7.4): 143509.88
Polar Surface Area: 29 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 302.6±3.0 cm3

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