tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane

C27H54O4SiSn — CID 11204097

About tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane (PubChem CID 11204097) has the molecular formula C27H54O4SiSn and a molecular weight of 589.52 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
• PubChem CID: 11204097
• Molecular Formula: C27H54O4SiSn
• Molecular Weight: 589.52 g/mol
• Exact Mass: 590.28
• IUPAC Name: tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
• SMILES: CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2COC(C)(C)O2)O1
• InChI: InChI=1S/C15H27O4Si.3C4H9.Sn/c1-14(2,3)20(6,7)19-11-8-9-16-13(11)12-10-17-15(4,5)18-12;3*1-3-4-2;/h8,11-13H,10H2,1-7H3;3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m1..../s1
• InChIKey: VPEBROBSTUXHOT-VGDBHEHJSA-N
• XLogP: 8.20
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.52
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane (CID 11204097) is tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2COC(C)(C)O2)O1.

What is the InChIKey of tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?

The InChIKey is VPEBROBSTUXHOT-VGDBHEHJSA-N. The full InChI is InChI=1S/C15H27O4Si.3C4H9.Sn/c1-14(2,3)20(6,7)19-11-8-9-16-13(11)12-10-17-15(4,5)18-12;3*1-3-4-2;/h8,11-13H,10H2,1-7H3;3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m1..../s1.

What are the key properties of tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?

tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane has a molecular weight of 589.52 g/mol, XLogP of 8.20, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11204097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).