2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₀H₁₉BO₃ — CID 125479437

About 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 125479437) has the molecular formula C₁₀H₁₉BO₃ and a molecular weight of 198.07 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 125479437
• Molecular Formula: C₁₀H₁₉BO₃
• Molecular Weight: 198.07 g/mol
• Exact Mass: 198.14
• IUPAC Name: 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=C(OCC)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C10H19BO3/c1-7-12-8(2)11-13-9(3,4)10(5,6)14-11/h2,7H2,1,3-6H3
• InChIKey: XGCUGPSDJLRGPF-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.07
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 125479437) is 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(OCC)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is XGCUGPSDJLRGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO3/c1-7-12-8(2)11-13-9(3,4)10(5,6)14-11/h2,7H2,1,3-6H3.

What are the key properties of 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 198.07 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 125479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 125479437 — identifiers, structure, computed properties (public domain)

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