2-[(tert-butyldimethylsilyl)oxy](2H4)ethan-1-ol

• ChemBase ID: 163359
• Molecular Formular: C8H20O2Si
• Molecular Mass: 176.3287
• Monoisotopic Mass: 176.12325641
• SMILES: OCCO[Si](C(C)(C)C)(C)C
• Canonical SMILES: OCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C8H20O2Si/c1-8(2,3)11(4,5)10-7-6-9/h9H,6-7H2,1-5H3
• InChIKey: YJYAGNPMQVHYAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(tert-butyldimethylsilyl)oxy](^2H₄)ethan-1-ol
• IUPAC Traditional name: 2-[(tert-butyldimethylsilyl)oxy](^2H₄)ethanol
• Synonyms: 2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethan-1,1,2,2-d4-ol; 2-(tert-Butyldimethylsiloxy)ethyl-d4 alcohol; 2-[(tert-Butyldimethylsilyl)oxy]-1-ethanol-d4; 2-tert-Butyldimethylsilyloxyethanol-d4

Database IDs

• CAS Number: 764650-43-3
• PubChem SID: 162257494
• PubChem CID: 46780941

CALCULATED PROPERTIES

• Acid pKa: 15.152898
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5551
• LogD (pH = 7.4): 1.5551
• Log P: 1.5551
• Molar Refractivity: 44.4017 cm^3
• Polarizability: 19.710588 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Oil