ChemSpider 2D Image | AM-2389 | C25H38O3

AM-2389

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID26333264

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aR,9R,10aR)-3-(1-hexyl-cyclobut-1-yl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 diol
(6aR,9R,10aR)-3-(1-Hexylcyclobutyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1,9-diol [German] [ACD/IUPAC Name]
(6aR,9R,10aR)-3-(1-Hexylcyclobutyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,9-diol [ACD/IUPAC Name]
(6aR,9R,10aR)-3-(1-Hexylcyclobutyl)-6,6-diméthyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromène-1,9-diol [French] [ACD/IUPAC Name]
(6aR,9R,10aR)-3-(1-Hexylcyclobutyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9-diol
1256842-49-5 [RN]
6H-Dibenzo[b,d]pyran-1,9-diol, 3-(1-hexylcyclobutyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-, (6aR,9R,10aR)- [ACD/Index Name]
AM-2389 [Wiki]
GGT8LM8A2O
(6aR,9R,10aR)-3-(1-Hexylcyclobutyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran-1,9-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.2±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 156615.48
ACD/KOC (pH 5.5): 181983.97
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 155976.25
ACD/KOC (pH 7.4): 181241.19
Polar Surface Area: 50 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 360.9±3.0 cm3

Click to predict properties on the Chemicalize site


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