tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane

C20H35BO3Si — CID 102396896

About tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane

tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane (PubChem CID 102396896) has the molecular formula C20H35BO3Si and a molecular weight of 362.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
• PubChem CID: 102396896
• Molecular Formula: C20H35BO3Si
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.24
• IUPAC Name: tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
• SMILES: CC(O[Si](C)(C)C(C)(C)C)c1ccccc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C20H35BO3Si/c1-15(22-25(9,10)18(2,3)4)16-13-11-12-14-17(16)21-23-19(5,6)20(7,8)24-21/h11-15H,1-10H3
• InChIKey: GMGRVWNETCWZOG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.40
LogP ≤ 5	5.07
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-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane (CID 102396896) is tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane.

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

The canonical SMILES for tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane is CC(O[Si](C)(C)C(C)(C)C)c1ccccc1B1OC(C)(C)C(C)(C)O1.

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

The InChIKey is GMGRVWNETCWZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BO3Si/c1-15(22-25(9,10)18(2,3)4)16-13-11-12-14-17(16)21-23-19(5,6)20(7,8)24-21/h11-15H,1-10H3.

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

tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane has a molecular weight of 362.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane is sourced from PubChem (CID 102396896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).