tributyl(2-ethoxyethenyl)stannane

• ChemBase ID: 77664
• Molecular Formular: C16H34OSn
• Molecular Mass: 361.14156
• Monoisotopic Mass: 362.16315971
• SMILES: [Sn](CCCC)(CCCC)(CCCC)/C=C/OCC
• Canonical SMILES: CCCC[Sn](/C=C/OCC)(CCCC)CCCC
• InChI: InChI=1S/C4H7O.3C4H9.Sn/c1-3-5-4-2;3*1-3-4-2;/h1,3H,4H2,2H3;3*1,3-4H2,2H3
• InChIKey: WARKYKQCOXTIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(2-ethoxyethenyl)stannane
• IUPAC Traditional name: tributyl(2-ethoxyethenyl)stannane
• Synonyms: cis-1-Ethoxy-2-(tributylstannyl)ethene; (Z)-1-Ethoxy-2-(tributylstannyl)ethene, [(Z)-2-Ethoxyvinyl]tributylstannane; (Z)-1-Ethoxy-2-(tributylstannyl)ethylene

Database IDs

• CAS Number: 64724-29-4
• MDL Number: MFCD07787391
• PubChem SID: 162042536
• PubChem CID: 6508882

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9311
• LogD (pH = 7.4): 6.9311
• Log P: 6.9311
• Molar Refractivity: 79.3755 cm^3
• Polarizability: 35.968628 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 84-87°C/1mm
• Flash Point: >110°C
• Density: 1.082

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Keep Cold/Store under Argon