tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane

C28H57BO4Si2 — CID 134878858

About tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane

tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane (PubChem CID 134878858) has the molecular formula C28H57BO4Si2 and a molecular weight of 524.74 g/mol. Its IUPAC name is tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane
• PubChem CID: 134878858
• Molecular Formula: C28H57BO4Si2
• Molecular Weight: 524.74 g/mol
• Exact Mass: 524.39
• IUPAC Name: tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane
• SMILES: C=C(CCCO[Si](C)(C)C(C)(C)C)/C(=C/CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C28H57BO4Si2/c1-23(19-18-22-31-35(14,15)26(5,6)7)24(29-32-27(8,9)28(10,11)33-29)20-16-17-21-30-34(12,13)25(2,3)4/h20H,1,16-19,21-22H2,2-15H3/b24-20-
• InChIKey: RKFSSWQEQUHVFM-GFMRDNFCSA-N
• XLogP: 8.70
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.74
LogP ≤ 5	8.70
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane (CID 134878858) is tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane is C=C(CCCO[Si](C)(C)C(C)(C)C)/C(=C/CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane?

The InChIKey is RKFSSWQEQUHVFM-GFMRDNFCSA-N. The full InChI is InChI=1S/C28H57BO4Si2/c1-23(19-18-22-31-35(14,15)26(5,6)7)24(29-32-27(8,9)28(10,11)33-29)20-16-17-21-30-34(12,13)25(2,3)4/h20H,1,16-19,21-22H2,2-15H3/b24-20-.

What are the key properties of tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane?

tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane has a molecular weight of 524.74 g/mol, XLogP of 8.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane is sourced from PubChem (CID 134878858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).