(3S)-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-one

• ChemBase ID: 163274
• Molecular Formular: C10H20O3Si
• Molecular Mass: 216.3495
• Monoisotopic Mass: 216.11817103
• SMILES: C1C[C@@H](C(=O)O1)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: CC([Si](O[C@H]1CCOC1=O)(C)C)(C)C
• InChI: InChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-12-9(8)11/h8H,6-7H2,1-5H3/t8-/m0/s1
• InChIKey: WNRXZIBXHZJOBE-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-one
• IUPAC Traditional name: (3S)-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-one
• Synonyms: (3S)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]dihydro-2(3H)-furanone; (-)-(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}dihydrofuran-2(3H)-one

Database IDs

• CAS Number: 164264-14-6
• PubChem SID: 162257409
• PubChem CID: 10965951

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.941
• LogD (pH = 7.4): 1.941
• Log P: 1.941
• Molar Refractivity: 51.6048 cm^3
• Polarizability: 22.832834 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid
• Boiling Point: 70°@1mmHg

Safety Information

• Storage Condition: Refrigerator