tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane

C23H49BO4Si2 — CID 101499395

About tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane

tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane (PubChem CID 101499395) has the molecular formula C23H49BO4Si2 and a molecular weight of 456.63 g/mol. Its IUPAC name is tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
• PubChem CID: 101499395
• Molecular Formula: C23H49BO4Si2
• Molecular Weight: 456.63 g/mol
• Exact Mass: 456.33
• IUPAC Name: tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
• SMILES: CC(C)O[Si](C)(C)/C=C(/CCCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C23H49BO4Si2/c1-19(2)26-29(10,11)18-20(24-27-22(6,7)23(8,9)28-24)16-14-15-17-25-30(12,13)21(3,4)5/h18-19H,14-17H2,1-13H3/b20-18-
• InChIKey: BONMCNFDVOMJPL-ZZEZOPTASA-N
• XLogP: 6.91
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.63
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane (CID 101499395) is tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane is CC(C)O[Si](C)(C)/C=C(/CCCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?

The InChIKey is BONMCNFDVOMJPL-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H49BO4Si2/c1-19(2)26-29(10,11)18-20(24-27-22(6,7)23(8,9)28-24)16-14-15-17-25-30(12,13)21(3,4)5/h18-19H,14-17H2,1-13H3/b20-18-.

What are the key properties of tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane?

tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane has a molecular weight of 456.63 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-6-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 101499395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).