acetic acid tetrabutylphosphanium acetate

• ChemBase ID: 112748
• Molecular Formular: C20H43O4P
• Molecular Mass: 378.526781
• Monoisotopic Mass: 378.28989649
• SMILES: CC(=O)O.CC(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC
• Canonical SMILES: CC(=O)O.[O-]C(=O)C.CCCC[P+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36P.2C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2(3)4/h5-16H2,1-4H3;2*1H3,(H,3,4)/q+1;;/p-1
• InChIKey: BZPUUPVCWNNZKW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: acetic acid tetrabutylphosphanium acetate
• IUPAC Traditional name: acetate ion; acetic acid; tetrabutylphosphonium
• Synonyms: TETRA-n-BUTYL PHOSPHONIUM ACETATE

Database IDs

• CAS Number: 17786-43-5
• PubChem SID: 162097559
• PubChem CID: 87304

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5721793
• LogD (pH = 7.4): 5.5721793
• Log P: 5.5721793
• Molar Refractivity: 83.0876 cm^3
• Polarizability: 33.34857 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225630

MP Biomedicals Rare Chemical collection