methyl (3S)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2,2-dimethylpentanoate

• ChemBase ID: 173394
• Molecular Formular: C20H44O4Si2
• Molecular Mass: 404.73196
• Monoisotopic Mass: 404.27781295
• SMILES: C([Si](OCC[C@@H](C(C(=O)OC)(C)C)O[Si](C(C)(C)C)(C)C)(C)C)(C)(C)C
• Canonical SMILES: COC(=O)C([C@@H](O[Si](C(C)(C)C)(C)C)CCO[Si](C(C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C20H44O4Si2/c1-18(2,3)25(10,11)23-15-14-16(20(7,8)17(21)22-9)24-26(12,13)19(4,5)6/h16H,14-15H2,1-13H3/t16-/m0/s1
• InChIKey: HYLBEYMVUAJSHM-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (3S)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2,2-dimethylpentanoate
• IUPAC Traditional name: methyl (3S)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2,2-dimethylpentanoate
• Synonyms: (-)-Methyl (3S)-3,5-Bis-{[tert-butyldimethylsilyl)oxy]}-2,2-dimethylpentanoate

Database IDs

• CAS Number: 218614-13-2
• PubChem SID: 164229304
• PubChem CID: 10982347

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5236
• LogD (pH = 7.4): 5.5236
• Log P: 5.5236
• Molar Refractivity: 103.414 cm^3
• Polarizability: 45.58059 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Hexane
• Apperance: Colourless Oil