tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane

C19H40BClO3Si2 — CID 102111320

About tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane

tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane (PubChem CID 102111320) has the molecular formula C19H40BClO3Si2 and a molecular weight of 418.96 g/mol. Its IUPAC name is tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
• PubChem CID: 102111320
• Molecular Formula: C19H40BClO3Si2
• Molecular Weight: 418.96 g/mol
• Exact Mass: 418.23
• IUPAC Name: tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
• SMILES: CC1(C)OB(/C=C(\CCCO[Si](C)(C)C(C)(C)C)[Si](C)(C)Cl)OC1(C)C
• InChI: InChI=1S/C19H40BClO3Si2/c1-17(2,3)26(10,11)22-14-12-13-16(25(8,9)21)15-20-23-18(4,5)19(6,7)24-20/h15H,12-14H2,1-11H3/b16-15+
• InChIKey: RNRRKEMIWOEFCU-FOCLMDBBSA-N
• XLogP: 6.33
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.96
LogP ≤ 5	6.33
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane (CID 102111320) is tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane is CC1(C)OB(/C=C(\CCCO[Si](C)(C)C(C)(C)C)[Si](C)(C)Cl)OC1(C)C.

What is the InChIKey of tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?

The InChIKey is RNRRKEMIWOEFCU-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H40BClO3Si2/c1-17(2,3)26(10,11)22-14-12-13-16(25(8,9)21)15-20-23-18(4,5)19(6,7)24-20/h15H,12-14H2,1-11H3/b16-15+.

What are the key properties of tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane?

tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane has a molecular weight of 418.96 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-4-[chloro(dimethyl)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 102111320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).