5-[(tert-butyldimethylsilyl)oxy]-2,3-dihydro-1-benzofuran-3-ol

• ChemBase ID: 286500
• Molecular Formular: C14H22O3Si
• Molecular Mass: 266.40818
• Monoisotopic Mass: 266.1338211
• SMILES: c12c(OCC2O)ccc(O[Si](C(C)(C)C)(C)C)c1
• Canonical SMILES: OC1COc2c1cc(cc2)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H22O3Si/c1-14(2,3)18(4,5)17-10-6-7-13-11(8-10)12(15)9-16-13/h6-8,12,15H,9H2,1-5H3
• InChIKey: IKYSSHIEYYDEPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(tert-butyldimethylsilyl)oxy]-2,3-dihydro-1-benzofuran-3-ol
• IUPAC Traditional name: 5-[(tert-butyldimethylsilyl)oxy]-2,3-dihydro-1-benzofuran-3-ol
• Synonyms: 5-[(tert-butyldimethylsilyl)oxy]-2,3-dihydro-1-benzofuran-3-ol

Database IDs

• MDL Number: MFCD21602818
• PubChem SID: 180672031
• PubChem CID: 73994877

CALCULATED PROPERTIES

• Acid pKa: 13.379492
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7847
• LogD (pH = 7.4): 2.7846994
• Log P: 2.7847
• Molar Refractivity: 68.8673 cm^3
• Polarizability: 29.230812 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.336

Product Information

• Purity: 95%