ethyl (diethoxymethyl)phosphinate

• ChemBase ID: 291784
• Molecular Formular: C7H17O4P
• Molecular Mass: 196.181241
• Monoisotopic Mass: 196.08644565
• SMILES: CCOC(OCC)P(=O)OCC
• Canonical SMILES: CCOP(=O)C(OCC)OCC
• InChI: InChI=1S/C7H17O4P/c1-4-9-7(10-5-2)12(8)11-6-3/h7,12H,4-6H2,1-3H3
• InChIKey: PJXJOBPJYXVTDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (diethoxymethyl)phosphinate
• IUPAC Traditional name: ethyl diethoxymethylphosphinate
• Synonyms: Ethyl (diethoxymethyl)phosphinate

Database IDs

• CAS Number: 65600-74-0
• MDL Number: MFCD00460154
• PubChem SID: 180677315
• PubChem CID: 11019774

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.708
• LogD (pH = 7.4): 1.708
• Log P: 1.708
• Molar Refractivity: 46.7267 cm^3
• Polarizability: 19.07322 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%