methyl (2S,3S)-3-[(tert-butyldimethylsilyl)oxy]-2-methylbutanoate

• ChemBase ID: 178175
• Molecular Formular: C12H26O3Si
• Molecular Mass: 246.41854
• Monoisotopic Mass: 246.16512122
• SMILES: [C@@H]([C@@H](C(=O)OC)C)(C)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: COC(=O)[C@H]([C@@H](O[Si](C(C)(C)C)(C)C)C)C
• InChI: InChI=1S/C12H26O3Si/c1-9(11(13)14-6)10(2)15-16(7,8)12(3,4)5/h9-10H,1-8H3/t9-,10-/m0/s1
• InChIKey: LXNGFUZXDGVDEZ-UWVGGRQHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2S,3S)-3-[(tert-butyldimethylsilyl)oxy]-2-methylbutanoate
• IUPAC Traditional name: methyl (2S,3S)-3-[(tert-butyldimethylsilyl)oxy]-2-methylbutanoate
• Synonyms: (R,S)-3-[(Tert-butyldimethylsilyl)oxy]-2-methyl-butanoic Acid Methyl Ester

Database IDs

• CAS Number: 155897-72-6
• PubChem SID: 164234085
• PubChem CID: 13396327

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0285
• LogD (pH = 7.4): 3.0285
• Log P: 3.0285
• Molar Refractivity: 62.6558 cm^3
• Polarizability: 27.22626 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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