4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane

C17H34B2O5 — CID 154713202

About 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane (PubChem CID 154713202) has the molecular formula C17H34B2O5 and a molecular weight of 340.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane
• PubChem CID: 154713202
• Molecular Formula: C17H34B2O5
• Molecular Weight: 340.08 g/mol
• Exact Mass: 340.26
• IUPAC Name: 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane
• SMILES: CC(C)CC(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C17H34B2O5/c1-12(2)11-13(18-21-14(3,4)15(5,6)22-18)20-19-23-16(7,8)17(9,10)24-19/h12-13H,11H2,1-10H3
• InChIKey: WWHQMKOSGRUXFR-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.08
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane (CID 154713202) is 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane is CC(C)CC(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?

The InChIKey is WWHQMKOSGRUXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34B2O5/c1-12(2)11-13(18-21-14(3,4)15(5,6)22-18)20-19-23-16(7,8)17(9,10)24-19/h12-13H,11H2,1-10H3.

What are the key properties of 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane has a molecular weight of 340.08 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane is sourced from PubChem (CID 154713202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).