5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane

C22H44B4O8 — CID 139172509

About 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane

5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane (PubChem CID 139172509) has the molecular formula C22H44B4O8 and a molecular weight of 479.83 g/mol. Its IUPAC name is 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
• PubChem CID: 139172509
• Molecular Formula: C22H44B4O8
• Molecular Weight: 479.83 g/mol
• Exact Mass: 480.34
• IUPAC Name: 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
• SMILES: CC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1.CC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1
• InChI: InChI=1S/2C11H22B2O4/c2*1-9(2)7-14-12(15-8-9)13-16-10(3,4)11(5,6)17-13/h2*7-8H2,1-6H3
• InChIKey: BGJISWANHSVHQP-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.83
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?

The IUPAC name of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane (CID 139172509) is 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane.

What is the SMILES notation for 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?

The canonical SMILES for 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane is CC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1.CC1(C)COB(B2OC(C)(C)C(C)(C)O2)OC1.

What is the InChIKey of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?

The InChIKey is BGJISWANHSVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22B2O4/c2*1-9(2)7-14-12(15-8-9)13-16-10(3,4)11(5,6)17-13/h2*7-8H2,1-6H3.

What are the key properties of 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane?

5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane has a molecular weight of 479.83 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane is sourced from PubChem (CID 139172509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).