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

C₁₅H₃₃BO₃Si — CID 138980576

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

Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (PubChem CID 138980576) has the molecular formula C₁₅H₃₃BO₃Si and a molecular weight of 300.32 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.

Molecular Properties

• Compound Name: Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
• PubChem CID: 138980576
• Molecular Formula: C₁₅H₃₃BO₃Si
• Molecular Weight: 300.32 g/mol
• Exact Mass: 300.23
• IUPAC Name: tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
• SMILES: CC1(C)OB(CCCO[Si](C)(C)C(C)(C)C)OC1(C)C
• InChI: InChI=1S/C15H33BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-12H2,1-9H3
• InChIKey: CAYIXFKUZPQYIJ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.32
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)propoxy]silane?

The IUPAC name of Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (CID 138980576) is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.

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

The canonical SMILES for Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is CC1(C)OB(CCCO[Si](C)(C)C(C)(C)C)OC1(C)C.

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

The InChIKey is CAYIXFKUZPQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-12H2,1-9H3.

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

Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane has a molecular weight of 300.32 g/mol, XLogP of 4.49, 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)propoxy]silane is sourced from PubChem (CID 138980576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138980576 — identifiers, structure, computed properties (public domain)

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