diethoxybarium

• ChemBase ID: 108364
• Molecular Formular: C4H10BaO2
• Molecular Mass: 227.448
• Monoisotopic Mass: 227.97332656
• SMILES: CCO[Ba]OCC
• Canonical SMILES: CCO[Ba]OCC
• InChI: InChI=1S/2C2H5O.Ba/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
• InChIKey: GYIWFHXWLCXGQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethoxybarium
• IUPAC Traditional name: diethoxybarium
• Synonyms: BARIUM ETHOXIDE

Database IDs

• PubChem SID: 162105748
• PubChem CID: 25113519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8684
• LogD (pH = 7.4): 0.8684
• Log P: 0.8684
• Molar Refractivity: 23.591 cm^3
• Polarizability: 15.048789 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207112

MP Biomedicals Rare Chemical collection