Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane

C₁₃H₃₄B₄O₆ — CID 159012632

About Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane

Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane (PubChem CID 159012632) has the molecular formula C₁₃H₃₄B₄O₆ and a molecular weight of 329.66 g/mol. Its IUPAC name is dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane
• PubChem CID: 159012632
• Molecular Formula: C₁₃H₃₄B₄O₆
• Molecular Weight: 329.66 g/mol
• Exact Mass: 330.27
• IUPAC Name: dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane
• SMILES: CB(C)O.CB1OCCCO1.CB1OCCO1.CCOB(C)C
• InChI: InChI=1S/C4H9BO2.C4H11BO.C3H7BO2.C2H7BO/c1-5-6-3-2-4-7-5;1-4-6-5(2)3;1-4-5-2-3-6-4;1-3(2)4/h2-4H2,1H3;4H2,1-3H3;2-3H2,1H3;4H,1-2H3
• InChIKey: JSRMIYJROJQPGH-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.66
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?

The IUPAC name of Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane (CID 159012632) is dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane.

What is the SMILES notation for Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?

The canonical SMILES for Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane is CB(C)O.CB1OCCCO1.CB1OCCO1.CCOB(C)C.

What is the InChIKey of Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?

The InChIKey is JSRMIYJROJQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BO2.C4H11BO.C3H7BO2.C2H7BO/c1-5-6-3-2-4-7-5;1-4-6-5(2)3;1-4-5-2-3-6-4;1-3(2)4/h2-4H2,1H3;4H2,1-3H3;2-3H2,1H3;4H,1-2H3.

What are the key properties of Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?

Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane has a molecular weight of 329.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159012632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159012632 — identifiers, structure, computed properties (public domain)

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