Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane

C₁₆H₃₅BO₃Si — CID 73067164

About Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane

Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (PubChem CID 73067164) has the molecular formula C₁₆H₃₅BO₃Si and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

Molecular Properties

• Compound Name: Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
• PubChem CID: 73067164
• Molecular Formula: C₁₆H₃₅BO₃Si
• Molecular Weight: 314.35 g/mol
• Exact Mass: 314.24
• IUPAC Name: tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
• SMILES: CC(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C16H35BO3Si/c1-13(11-12-18-21(9,10)14(2,3)4)17-19-15(5,6)16(7,8)20-17/h13H,11-12H2,1-10H3
• InChIKey: DLVJMTLUKCCFFX-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.35
LogP ≤ 5	4.88
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-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

The IUPAC name of Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (CID 73067164) is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

What is the SMILES notation for Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

The canonical SMILES for Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is CC(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

The InChIKey is DLVJMTLUKCCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BO3Si/c1-13(11-12-18-21(9,10)14(2,3)4)17-19-15(5,6)16(7,8)20-17/h13H,11-12H2,1-10H3.

What are the key properties of Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?

Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane has a molecular weight of 314.35 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is sourced from PubChem (CID 73067164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 73067164 — identifiers, structure, computed properties (public domain)

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