Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

C₁₁H₂₄B₂O₄ — CID 123915503

About Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (PubChem CID 123915503) has the molecular formula C₁₁H₂₄B₂O₄ and a molecular weight of 241.93 g/mol. Its IUPAC name is methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

Molecular Properties

• Compound Name: Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
• PubChem CID: 123915503
• Molecular Formula: C₁₁H₂₄B₂O₄
• Molecular Weight: 241.93 g/mol
• Exact Mass: 242.19
• IUPAC Name: methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
• SMILES: COB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C11H24B2O4/c1-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13/h1-8H3
• InChIKey: ZQCQMBGZUOCTMB-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.93
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?

The IUPAC name of Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (CID 123915503) is methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

What is the SMILES notation for Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?

The canonical SMILES for Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is COB(OC(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?

The InChIKey is ZQCQMBGZUOCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24B2O4/c1-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13/h1-8H3.

What are the key properties of Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?

Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane has a molecular weight of 241.93 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methoxy-[(2-methylpropan-2-yl)oxy]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is sourced from PubChem (CID 123915503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123915503 — identifiers, structure, computed properties (public domain)

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