ChemSpider 2D Image | Methyl [(1r,4r)-5'-(2-bromo-2-methylpropanoyl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl]acetate | C21H27BrO3

Methyl [(1r,4r)-5'-(2-bromo-2-methylpropanoyl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl]acetate

  • Molecular FormulaC21H27BrO3
  • Average mass407.341 Da
  • Monoisotopic mass406.114349 Da
  • ChemSpider ID32797270

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1r,4r)-5'-(2-Bromo-2-méthylpropanoyl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [(1r,4r)-5'-(2-bromo-2-methylpropanoyl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl]acetate [ACD/IUPAC Name]
Methyl-[(1r,4r)-5'-(2-brom-2-methylpropanoyl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl]acetat [German] [ACD/IUPAC Name]
Spiro[cyclohexane-1,1'-[1H]indene]-4-acetic acid, 5'-(2-bromo-2-methyl-1-oxopropyl)-2',3'-dihydro-, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.9±27.3 °C
Index of Refraction: 1.567
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17137.04
ACD/KOC (pH 5.5): 37345.47
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17137.04
ACD/KOC (pH 7.4): 37345.47
Polar Surface Area: 43 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

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