6-bromo-2,2,3,3,9,9,10,10-octamethyl(5,5,7,7-2H4)-4,8-dioxa-3,9-disilaundecane

• ChemBase ID: 162771
• Molecular Formular: C15H35BrO2Si2
• Molecular Mass: 383.5122
• Monoisotopic Mass: 382.13589542
• SMILES: O(CC(CO[Si](C(C)(C)C)(C)C)Br)[Si](C(C)(C)C)(C)C
• Canonical SMILES: BrC(CO[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C15H35BrO2Si2/c1-14(2,3)19(7,8)17-11-13(16)12-18-20(9,10)15(4,5)6/h13H,11-12H2,1-10H3
• InChIKey: SUXFIDUKDVMDFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,2,3,3,9,9,10,10-octamethyl(5,5,7,7-^2H₄)-4,8-dioxa-3,9-disilaundecane
• IUPAC Traditional name: 6-bromo-2,2,3,3,9,9,10,10-octamethyl(5,5,7,7-^2H₄)-4,8-dioxa-3,9-disilaundecane
• Synonyms: 2-Bromo-1,3-bis(tert-butyldimethylsilyloxy)propane-d4

Database IDs

• PubChem SID: 162256906
• PubChem CID: 71314219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2561
• LogD (pH = 7.4): 5.2561
• Log P: 5.2561
• Molar Refractivity: 86.2468 cm^3
• Polarizability: 38.24802 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - B681862

Labelled 2-Bromo-1,3-propanediol (B686665) derivative. 2-Bromo-1,3-propanediol is used for isolating bases by means of Reinecke's salt.

REFERENCES

• Dudley, H., et al.: Biochem. J., 27, 157 (1933)