dibutylstannanebis(ylium) hexanedioate

• ChemBase ID: 107219
• Molecular Formular: C14H26O4Sn
• Molecular Mass: 377.05484
• Monoisotopic Mass: 378.08530331
• SMILES: CCCC[Sn+2]CCCC.[O-]C(=O)CCCCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCCCC(=O)[O-].CCCC[Sn+2]CCCC
• InChI: InChI=1S/C6H10O4.2C4H9.Sn/c7-5(8)3-1-2-4-6(9)10;2*1-3-4-2;/h1-4H2,(H,7,8)(H,9,10);2*1,3-4H2,2H3;/q;;;+2/p-2
• InChIKey: SGIBEPSSERDAHS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylstannanebis(ylium) hexanedioate
• IUPAC Traditional name: dibutylstannanebis(ylium) adipate
• Synonyms: DIBUTYL TIN ADIPATE

Database IDs

• PubChem SID: 162106006
• PubChem CID: 23508599

CALCULATED PROPERTIES

• Acid pKa: 3.9174685
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9542978
• LogD (pH = 7.4): -5.3871665
• Log P: 0.49065435
• Molar Refractivity: 54.4132 cm^3
• Polarizability: 12.73627 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202957

MP Biomedicals Rare Chemical collection