tributylstannyl prop-2-enoate

• ChemBase ID: 111462
• Molecular Formular: C15H30O2Sn
• Molecular Mass: 361.0985
• Monoisotopic Mass: 362.1267742
• SMILES: CCCC[Sn](CCCC)(CCCC)OC(=O)C=C
• Canonical SMILES: CCCC[Sn](OC(=O)C=C)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H4O2.Sn/c3*1-3-4-2;1-2-3(4)5;/h3*1,3-4H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1
• InChIKey: YSUXTNDMKYYZPR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributylstannyl prop-2-enoate
• IUPAC Traditional name: tributylstannyl prop-2-enoate
• Synonyms: TRIBUTYL TIN ACRYLATE

Database IDs

• CAS Number: 13331-52-7
• PubChem SID: 162096869
• PubChem CID: 16683072

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2907
• LogD (pH = 7.4): 5.2907
• Log P: 5.2907
• Molar Refractivity: 75.2415 cm^3
• Polarizability: 34.264236 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05219298

MP Biomedicals Rare Chemical collection