tributyl(2,3-dihydro-1-benzofuran-5-yl)stannane

• ChemBase ID: 74015
• Molecular Formular: C20H34OSn
• Molecular Mass: 409.18436
• Monoisotopic Mass: 410.16315971
• SMILES: O1c2c(cc(cc2)[Sn](CCCC)(CCCC)CCCC)CC1
• Canonical SMILES: CCCC[Sn](c1ccc2c(c1)CCO2)(CCCC)CCCC
• InChI: InChI=1S/C8H7O.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h2-4H,5-6H2;3*1,3-4H2,2H3
• InChIKey: JNVDHTDXUJFBEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(2,3-dihydro-1-benzofuran-5-yl)stannane
• IUPAC Traditional name: tributyl(2,3-dihydro-1-benzofuran-5-yl)stannane
• Synonyms: 2,3-Dihydro-5-(tri-N-butylstannyl)benzo[b]furan, tech

Database IDs

• MDL Number: MFCD01313821
• PubChem SID: 162038934
• PubChem CID: 2736122

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8599
• LogD (pH = 7.4): 4.8599
• Log P: 4.8599
• Molar Refractivity: 93.6628 cm^3
• Polarizability: 41.285294 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: >160°C/0.1mm

Safety Information

• Storage Warning: Irritant