2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

C20H40B4O8 — CID 160557818

About 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (PubChem CID 160557818) has the molecular formula C20H40B4O8 and a molecular weight of 451.78 g/mol. Its IUPAC name is 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
• PubChem CID: 160557818
• Molecular Formula: C20H40B4O8
• Molecular Weight: 451.78 g/mol
• Exact Mass: 452.31
• IUPAC Name: 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
• SMILES: C1COB(CB2OCCCO2)OC1.CC1(C)OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C
• InChI: InChI=1S/C13H26B2O4.C7H14B2O4/c1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15;1-3-10-8(11-4-1)7-9-12-5-2-6-13-9/h9H2,1-8H3;1-7H2
• InChIKey: QYXNCGSNVSDVCG-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.78
LogP ≤ 5	3.09
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 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?

The IUPAC name of 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (CID 160557818) is 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is C1COB(CB2OCCCO2)OC1.CC1(C)OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C.

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

The InChIKey is QYXNCGSNVSDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26B2O4.C7H14B2O4/c1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15;1-3-10-8(11-4-1)7-9-12-5-2-6-13-9/h9H2,1-8H3;1-7H2.

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

2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane has a molecular weight of 451.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3,2-dioxaborinan-2-ylmethyl)-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 160557818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).