tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane

C19H43BO4Si2 — CID 154712269

About tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane

tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane (PubChem CID 154712269) has the molecular formula C19H43BO4Si2 and a molecular weight of 402.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane
• PubChem CID: 154712269
• Molecular Formula: C19H43BO4Si2
• Molecular Weight: 402.53 g/mol
• Exact Mass: 402.28
• IUPAC Name: tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane
• SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H43BO4Si2/c1-15(14-21-26(12,13)17(2,3)4)16(22-25(9,10)11)20-23-18(5,6)19(7,8)24-20/h15-16H,14H2,1-13H3/t15-,16+/m1/s1
• InChIKey: ZXJWNIPKZVRYCE-CVEARBPZSA-N
• XLogP: 5.50
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.53
LogP ≤ 5	5.50
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-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane (CID 154712269) is tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane.

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

The canonical SMILES for tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C)B1OC(C)(C)C(C)(C)O1.

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

The InChIKey is ZXJWNIPKZVRYCE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H43BO4Si2/c1-15(14-21-26(12,13)17(2,3)4)16(22-25(9,10)11)20-23-18(5,6)19(7,8)24-20/h15-16H,14H2,1-13H3/t15-,16+/m1/s1.

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

tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane has a molecular weight of 402.53 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane is sourced from PubChem (CID 154712269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).