ChemSpider 2D Image | (7S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1,7-diol | C21H30O3

(7S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1,7-diol

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID35031814

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(7S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1,7-diol [German] [ACD/IUPAC Name]
(7S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1,7-diol [ACD/IUPAC Name]
(7S)-6,6,9-Triméthyl-3-pentyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromène-1,7-diol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1,7-diol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (7S)- [ACD/Index Name]
(7S)-6,6,9-trimethyl-3-pentyl-6aH,7H,8H,10aH-benzo[c]isochromene-1,7-diol
(7S)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-1,7-diol
7-α-Hydroxy-δ-9-THC
7-β-Hydroxy-δ-9-THC

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.1±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16262.56
ACD/KOC (pH 5.5): 35970.73
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16190.38
ACD/KOC (pH 7.4): 35811.09
Polar Surface Area: 50 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

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