(dodecanoyloxy)dimethylstannyl dodecanoate

• ChemBase ID: 112332
• Molecular Formular: C26H52O4Sn
• Molecular Mass: 547.38968
• Monoisotopic Mass: 548.28875414
• SMILES: CCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC(=O)O[Sn](OC(=O)CCCCCCCCCCC)(C)C
• InChI: InChI=1S/2C12H24O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);2*1H3;/q;;;;+2/p-2
• InChIKey: LYYNQLKRDKNQMN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecanoyloxy)dimethylstannyl dodecanoate
• IUPAC Traditional name: (dodecanoyloxy)dimethylstannyl dodecanoate
• Synonyms: DIMETHYL TIN DILAURATE

Database IDs

• CAS Number: 2179-99-9
• PubChem SID: 162097448
• PubChem CID: 16683112

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4298
• LogD (pH = 7.4): 6.4298
• Log P: 6.4298
• Molar Refractivity: 127.3954 cm^3
• Polarizability: 55.49469 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223528

MP Biomedicals Rare Chemical collection