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

C₁₇H₃₇BO₃Si — CID 154712526

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

Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane (PubChem CID 154712526) has the molecular formula C₁₇H₃₇BO₃Si and a molecular weight of 328.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane.

Molecular Properties

• Compound Name: Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
• PubChem CID: 154712526
• Molecular Formula: C₁₇H₃₇BO₃Si
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.26
• IUPAC Name: tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
• SMILES: CC(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C17H37BO3Si/c1-14(18-20-16(5,6)17(7,8)21-18)12-11-13-19-22(9,10)15(2,3)4/h14H,11-13H2,1-10H3
• InChIKey: NFBDYZSVQPDCPM-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	5.27
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-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?

The IUPAC name of Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane (CID 154712526) is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane.

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

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

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

The InChIKey is NFBDYZSVQPDCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37BO3Si/c1-14(18-20-16(5,6)17(7,8)21-18)12-11-13-19-22(9,10)15(2,3)4/h14H,11-13H2,1-10H3.

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

Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane has a molecular weight of 328.38 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane is sourced from PubChem (CID 154712526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154712526 — identifiers, structure, computed properties (public domain)

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