ChemSpider 2D Image | (6aR,10aR)-9-(Fluoromethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C21H29FO2

(6aR,10aR)-9-(Fluoromethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H29FO2
  • Average mass332.452 Da
  • Monoisotopic mass332.215149 Da
  • ChemSpider ID26385052

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-9-(Fluormethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-9-(Fluoromethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-9-(Fluorométhyl)-6,6-diméthyl-3-pentyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 9-(fluoromethyl)-6a,7,10,10a-tetrahydro-6,6-dimethyl-3-pentyl-, (6aR,10aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 390.2±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: 177.7±24.4 °C
Index of Refraction: 1.517
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 98791.59
ACD/KOC (pH 5.5): 130855.85
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98381.02
ACD/KOC (pH 7.4): 130312.03
Polar Surface Area: 29 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 316.3±3.0 cm3

Click to predict properties on the Chemicalize site


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