Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

C₃₀H₆₄O₃Si₂Sn — CID 134974921

About Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 134974921) has the molecular formula C₃₀H₆₄O₃Si₂Sn and a molecular weight of 647.72 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
• PubChem CID: 134974921
• Molecular Formula: C₃₀H₆₄O₃Si₂Sn
• Molecular Weight: 647.72 g/mol
• Exact Mass: 648.34
• IUPAC Name: tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
• SMILES: CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
• InChI: InChI=1S/C18H37O3Si2.3C4H9.Sn/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4;3*1-3-4-2;/h12,14-16H,1-11H3;3*1,3-4H2,2H3;/t14-,15-,16-;;;;/m1..../s1
• InChIKey: XWGOOCHJBFFXQM-ZSXNYYPLSA-N
• XLogP: 10.46
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.72
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

The IUPAC name of Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 134974921) is tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

What is the SMILES notation for Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

The canonical SMILES for Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.

What is the InChIKey of Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

The InChIKey is XWGOOCHJBFFXQM-ZSXNYYPLSA-N. The full InChI is InChI=1S/C18H37O3Si2.3C4H9.Sn/c1-14-16(21-23(10,11)18(5,6)7)15(12-13-19-14)20-22(8,9)17(2,3)4;3*1-3-4-2;/h12,14-16H,1-11H3;3*1,3-4H2,2H3;/t14-,15-,16-;;;;/m1..../s1.

What are the key properties of Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?

Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 647.72 g/mol, XLogP of 10.46, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 134974921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134974921 — identifiers, structure, computed properties (public domain)

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