ChemSpider 2D Image | (4'S,6R)-6'-Bromo-2,2,4',6-tetramethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-dibenzo[b,d]furan]-7',8'-diol | C21H27BrO3

(4'S,6R)-6'-Bromo-2,2,4',6-tetramethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-dibenzo[b,d]furan]-7',8'-diol

  • Molecular FormulaC21H27BrO3
  • Average mass407.341 Da
  • Monoisotopic mass406.114349 Da
  • ChemSpider ID26378112

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4'S,6R)-6'-Bromo-2,2,4',6-tetramethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-dibenzo[b,d]furan]-7',8'-diol [ACD/IUPAC Name]
Spiro[cyclohexane-1,1'(2'H)-dibenzofuran]-7',8'-diol, 6'-bromo-3',4'-dihydro-2,2,4',6-tetramethyl-, (4'S,6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 488.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 249.0±27.3 °C
Index of Refraction: 1.635
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 376144.38
ACD/KOC (pH 5.5): 337830.56
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 113279.93
ACD/KOC (pH 7.4): 101741.30
Polar Surface Area: 54 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 289.4±5.0 cm3

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