ChemSpider 2D Image | JWH-229 | C25H38O2

JWH-229

  • Molecular FormulaC25H38O2
  • Average mass370.568 Da
  • Monoisotopic mass370.287170 Da
  • ChemSpider ID24708120

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-1-Methoxy-6,6,9-trimethyl-3-(2-methyl-2-heptanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen [German] [ACD/IUPAC Name]
(6aR,10aR)-1-Methoxy-6,6,9-trimethyl-3-(2-methyl-2-heptanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene [ACD/IUPAC Name]
(6aR,10aR)-1-Méthoxy-6,6,9-triméthyl-3-(2-méthyl-2-heptanyl)-6a,7,8,10a-tétrahydro-6H-benzo[c]chromène [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran, 3-(1,1-dimethylhexyl)-6a,7,8,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]
832111-99-6 [RN]
8HHX5B1WP5
JWH-229
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498346/
UNII:8HHX5B1WP5
UNII-8HHX5B1WP5

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

Density: 1.0±0.1 g/cm3
Boiling Point: 440.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 135.7±28.3 °C
Index of Refraction: 1.502
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 9.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2155187.75
ACD/LogD (pH 7.4): 9.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2155187.75
Polar Surface Area: 18 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

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