9,9-dibutyl-8-(difluoromethylidene)-2,5,7-trioxa-9-stannatridecane

• ChemBase ID: 65194
• Molecular Formular: C18H36F2O3Sn
• Molecular Mass: 457.1744464
• Monoisotopic Mass: 458.16544545
• SMILES: C(=C([Sn](CCCC)(CCCC)CCCC)OCOCCOC)(F)F
• Canonical SMILES: CCCC[Sn](C(=C(F)F)OCOCCOC)(CCCC)CCCC
• InChI: InChI=1S/C6H9F2O3.3C4H9.Sn/c1-9-2-3-10-5-11-4-6(7)8;3*1-3-4-2;/h2-3,5H2,1H3;3*1,3-4H2,2H3
• InChIKey: MBPNENOKZRGFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-dibutyl-8-(difluoromethylidene)-2,5,7-trioxa-9-stannatridecane
• IUPAC Traditional name: 9,9-dibutyl-8-(difluoromethylidene)-2,5,7-trioxa-9-stannatridecane
• Synonyms: Tributyl[2,2-difluoro-1-(2-methoxyethoxymethoxy)-vinyl]stannane

Database IDs

• CAS Number: 170941-63-6
• MDL Number: MFCD18325146
• PubChem SID: 162030933
• PubChem CID: 11305632

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.3777
• LogD (pH = 7.4): 7.3777
• Log P: 7.3777
• Molar Refractivity: 111.8604 cm^3
• Polarizability: 40.726955 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%