methyl 2-(tributylstannyl)prop-2-enoate

• ChemBase ID: 178927
• Molecular Formular: C16H32O2Sn
• Molecular Mass: 375.12508
• Monoisotopic Mass: 376.14242426
• SMILES: C(=O)(C(=C)[Sn](CCCC)(CCCC)CCCC)OC
• Canonical SMILES: CCCC[Sn](C(=C)C(=O)OC)(CCCC)CCCC
• InChI: InChI=1S/C4H5O2.3C4H9.Sn/c1-3-4(5)6-2;3*1-3-4-2;/h1H2,2H3;3*1,3-4H2,2H3
• InChIKey: BJBHRHOGMCLJFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(tributylstannyl)prop-2-enoate
• IUPAC Traditional name: methyl 2-(tributylstannyl)prop-2-enoate
• Synonyms: Methyl 2-(Tributylstannanyl)propenoate; 2-(Tributylstannyl)-2-propenoic Acid Methyl Ester; Tributyl(1-methoxycarbonylvinyl)stannane; Methyl α-(Tributylstannyl)acrylate; Methyl 2-Tributylstannylacrylate; 2-(Tributylstannyl)acrylic Acid Methyl Ester

Database IDs

• CAS Number: 124582-37-2
• PubChem SID: 164234837
• PubChem CID: 10959723

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.8344
• LogD (pH = 7.4): 6.8344
• Log P: 6.8344
• Molar Refractivity: 79.879 cm^3
• Polarizability: 36.0911 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Hexane,
• Apperance: Brown Oil

Safety Information

• Storage Condition: Refrigerator