trimethylsilyl 2-(dimethoxyphosphoryl)acetate

• ChemBase ID: 74992
• Molecular Formular: C7H17O5PSi
• Molecular Mass: 240.266141
• Monoisotopic Mass: 240.05828681
• SMILES: P(=O)(OC)(OC)CC(=O)O[Si](C)(C)C
• Canonical SMILES: COP(=O)(CC(=O)O[Si](C)(C)C)OC
• InChI: InChI=1S/C7H17O5PSi/c1-10-13(9,11-2)6-7(8)12-14(3,4)5/h6H2,1-5H3
• InChIKey: AOBJUHXMTGKIDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl 2-(dimethoxyphosphoryl)acetate
• IUPAC Traditional name: trimethylsilyl 2-(dimethoxyphosphoryl)acetate
• Synonyms: Dimethyl(2-trimethylsilyloxycarbonylethyl)phosphonate

Database IDs

• CAS Number: 85169-29-5
• MDL Number: MFCD00014885
• PubChem SID: 162039910
• PubChem CID: 2773792

CALCULATED PROPERTIES

• Acid pKa: 13.414224
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0074
• LogD (pH = 7.4): 1.0073996
• Log P: 1.0074
• Molar Refractivity: 49.0113 cm^3
• Polarizability: 22.16981 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true