2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₉H₁₇BO₃ — CID 140822066

About 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140822066) has the molecular formula C₉H₁₇BO₃ and a molecular weight of 184.04 g/mol. Its IUPAC name is 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 140822066
• Molecular Formula: C₉H₁₇BO₃
• Molecular Weight: 184.04 g/mol
• Exact Mass: 184.13
• IUPAC Name: 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CO/C=C/B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C9H17BO3/c1-8(2)9(3,4)13-10(12-8)6-7-11-5/h6-7H,1-5H3/b7-6+
• InChIKey: LAPXXETVJUPCGE-VOTSOKGWSA-N
• XLogP: 1.78
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.04
LogP ≤ 5	1.78
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-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140822066) is 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CO/C=C/B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is LAPXXETVJUPCGE-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17BO3/c1-8(2)9(3,4)13-10(12-8)6-7-11-5/h6-7H,1-5H3/b7-6+.

What are the key properties of 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 184.04 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-methoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140822066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140822066 — identifiers, structure, computed properties (public domain)

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