zinc(2+) ion bis(2,2-dimethyloctanoate)

• ChemBase ID: 303583
• Molecular Formular: C20H38O4Zn
• Molecular Mass: 407.89332
• Monoisotopic Mass: 406.2061517
• SMILES: CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Zn+2]
• Canonical SMILES: CCCCCCC(C(=O)[O-])(C)C.CCCCCCC(C(=O)[O-])(C)C.[Zn+2]
• InChI: InChI=1S/2C10H20O2.Zn/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
• InChIKey: VNTDZUDTQCZFKN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(2,2-dimethyloctanoate)
• IUPAC Traditional name: zinc(2+) ion bis(2,2-dimethyloctanoate)
• Synonyms: Zinc neodecanoate; 新癸酸锌

Database IDs

• CAS Number: 27253-29-8
• EC Number: 248-370-4
• MDL Number: MFCD00014384

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: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• TSCA Listed: 是

Product Information

• Purity: Zn 17.9-18.2%