2-(tributylstannyl)prop-2-en-1-ol

• ChemBase ID: 178938
• Molecular Formular: C15H32OSn
• Molecular Mass: 347.11498
• Monoisotopic Mass: 348.14750964
• SMILES: C(C(=C)[Sn](CCCC)(CCCC)CCCC)O
• Canonical SMILES: CCCC[Sn](C(=C)CO)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H5O.Sn/c3*1-3-4-2;1-2-3-4;/h3*1,3-4H2,2H3;4H,1,3H2
• InChIKey: QWECYMFRAJIXAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)prop-2-en-1-ol
• IUPAC Traditional name: 2-(tributylstannyl)prop-2-en-1-ol
• Synonyms: 2-Tributylstannyl-2-propen-1-ol; Tributyl(2-hydroxy-1-(methylene)ethyl)stannane; 2-Tributyltin-allyl-1-ol

Database IDs

• CAS Number: 84666-30-8
• PubChem SID: 164234848
• PubChem CID: 10893384

CALCULATED PROPERTIES

• Acid pKa: 14.637359
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.569
• LogD (pH = 7.4): 5.569
• Log P: 5.569
• Molar Refractivity: 75.1674 cm^3
• Polarizability: 34.06746 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; DMSO; Methanol
• Apperance: Colourless Oil

Safety Information

• Storage Condition: -20°C Freezer