tributyl(5,6-dihydro-1,4-dioxin-2-yl)stannane

• ChemBase ID: 88624
• Molecular Formular: C16H32O2Sn
• Molecular Mass: 375.12508
• Monoisotopic Mass: 376.14242426
• SMILES: [Sn](C1=COCCO1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C1=COCCO1)(CCCC)CCCC
• InChI: InChI=1S/C4H5O2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1H,3-4H2;3*1,3-4H2,2H3
• InChIKey: TWIASPXZARVBBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(5,6-dihydro-1,4-dioxin-2-yl)stannane
• IUPAC Traditional name: tributyl(5,6-dihydro-1,4-dioxin-2-yl)stannane
• Synonyms: 2-Tributylstannyldioxene; 2-(Tributylstannyl)-5,6-dihydro-[1,4]-dioxin

Database IDs

• CAS Number: 131470-66-1
• MDL Number: MFCD01319061
• PubChem SID: 162075546
• PubChem CID: 11100832

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.5273
• LogD (pH = 7.4): 6.5273
• Log P: 6.5273
• Molar Refractivity: 88.5942 cm^3
• Polarizability: 35.987656 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false