tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane

C25H53BO4Si2 — CID 154712424

About tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane

tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane (PubChem CID 154712424) has the molecular formula C25H53BO4Si2 and a molecular weight of 484.68 g/mol. Its IUPAC name is tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
• PubChem CID: 154712424
• Molecular Formula: C25H53BO4Si2
• Molecular Weight: 484.68 g/mol
• Exact Mass: 484.36
• IUPAC Name: tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane
• SMILES: C=CC[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C25H53BO4Si2/c1-16-17-20(26-29-24(8,9)25(10,11)30-26)18-21(28-32(14,15)23(5,6)7)19-27-31(12,13)22(2,3)4/h16,20-21H,1,17-19H2,2-15H3/t20-,21+/m1/s1
• InChIKey: QPQLTKMHDOUPFH-RTWAWAEBSA-N
• XLogP: 7.83
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.68
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane (CID 154712424) is tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane is C=CC[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?

The InChIKey is QPQLTKMHDOUPFH-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H53BO4Si2/c1-16-17-20(26-29-24(8,9)25(10,11)30-26)18-21(28-32(14,15)23(5,6)7)19-27-31(12,13)22(2,3)4/h16,20-21H,1,17-19H2,2-15H3/t20-,21+/m1/s1.

What are the key properties of tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane?

tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane has a molecular weight of 484.68 g/mol, XLogP of 7.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 154712424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).