[(6-bromonaphthalen-2-yl)oxy](tert-butyl)dimethylsilane

• ChemBase ID: 140951
• Molecular Formular: C16H21BrOSi
• Molecular Mass: 337.32684
• Monoisotopic Mass: 336.05450382
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc2cc(ccc2c1)Br
• Canonical SMILES: Brc1ccc2c(c1)ccc(c2)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H21BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6-11H,1-5H3
• InChIKey: SSFFBVWGOVGZJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-bromonaphthalen-2-yl)oxy](tert-butyl)dimethylsilane
• IUPAC Traditional name: [(6-bromonaphthalen-2-yl)oxy](tert-butyl)dimethylsilane
• Synonyms: 2-(tert-Butyldimethylsilyloxy)-6-bromonaphthalene; 2-(叔丁基二甲基硅氧基)-6-溴萘

Database IDs

• MDL Number: MFCD11044858
• PubChem SID: 162235188
• PubChem CID: 13473083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7739
• LogD (pH = 7.4): 5.7739
• Log P: 5.7739
• Molar Refractivity: 81.96 cm^3
• Polarizability: 35.135284 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 61-64 °C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H21BrOSi

DETAILS

Sigma Aldrich - 684554

Packaging
5 g in glass bottle