yttrium(3+) ion tris(2,2-dimethyloctanoate)

• ChemBase ID: 303417
• Molecular Formular: C30H57O6Y
• Molecular Mass: 602.67583
• Monoisotopic Mass: 602.32136254
• SMILES: CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Y+3]
• Canonical SMILES: CCCCCCC(C(=O)[O-])(C)C.CCCCCCC(C(=O)[O-])(C)C.CCCCCCC(C(=O)[O-])(C)C.[Y+3]
• InChI: InChI=1S/3C10H20O2.Y/c3*1-4-5-6-7-8-10(2,3)9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3
• InChIKey: OQINTZSBLXYBSE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: yttrium(3+) ion tris(2,2-dimethyloctanoate)
• IUPAC Traditional name: yttrium(3+) ion tris(2,2-dimethyloctanoate)
• Synonyms: Yttrium(III) neodecanoate; 新癸酸钇(III)

Database IDs

• CAS Number: 68683-17-0
• EC Number: 272-063-4
• MDL Number: MFCD00070443

CALCULATED PROPERTIES

• Acid pKa: 5.169447
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3022842
• LogD (pH = 7.4): 1.5872248
• Log P: 3.799034
• Molar Refractivity: 60.1882 cm^3
• Polarizability: 19.546532 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder/chunks

Safety Information

• TSCA Listed: 是

Product Information

• Purity: Y 12-16%