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

C22H47BO4Si2 — CID 24850804

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

tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane (PubChem CID 24850804) has the molecular formula C22H47BO4Si2 and a molecular weight of 442.60 g/mol. Its IUPAC name is tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)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-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
• PubChem CID: 24850804
• Molecular Formula: C22H47BO4Si2
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.31
• IUPAC Name: tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
• SMILES: CC(C)O[Si](C)(C)/C(=C/B1OC(C)(C)C(C)(C)O1)CCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H47BO4Si2/c1-18(2)25-28(10,11)19(15-14-16-24-29(12,13)20(3,4)5)17-23-26-21(6,7)22(8,9)27-23/h17-18H,14-16H2,1-13H3/b19-17+
• InChIKey: MQTAJYLYFCESNU-HTXNQAPBSA-N
• XLogP: 6.52
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	6.52
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)-4-[dimethyl(propan-2-yloxy)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-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane (CID 24850804) is tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)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-[dimethyl(propan-2-yloxy)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-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane is CC(C)O[Si](C)(C)/C(=C/B1OC(C)(C)C(C)(C)O1)CCCO[Si](C)(C)C(C)(C)C.

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

The InChIKey is MQTAJYLYFCESNU-HTXNQAPBSA-N. The full InChI is InChI=1S/C22H47BO4Si2/c1-18(2)25-28(10,11)19(15-14-16-24-29(12,13)20(3,4)5)17-23-26-21(6,7)22(8,9)27-23/h17-18H,14-16H2,1-13H3/b19-17+.

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

tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane has a molecular weight of 442.60 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 24850804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).