dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane

C22H51B5O9 — CID 157367825

About dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane

dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane (PubChem CID 157367825) has the molecular formula C22H51B5O9 and a molecular weight of 513.70 g/mol. Its IUPAC name is dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane.

Molecular Properties

• Compound Name: dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
• PubChem CID: 157367825
• Molecular Formula: C22H51B5O9
• Molecular Weight: 513.70 g/mol
• Exact Mass: 514.40
• IUPAC Name: dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
• SMILES: CB(C)O.CB1OC(C)(C)C(C)(C)O1.CB1OCC(C)(C)CO1.CB1OCCCO1.CB1OCCO1
• InChI: InChI=1S/C7H15BO2.C6H13BO2.C4H9BO2.C3H7BO2.C2H7BO/c1-6(2)7(3,4)10-8(5)9-6;1-6(2)4-8-7(3)9-5-6;1-5-6-3-2-4-7-5;1-4-5-2-3-6-4;1-3(2)4/h1-5H3;4-5H2,1-3H3;2-4H2,1H3;2-3H2,1H3;4H,1-2H3
• InChIKey: BJJZMHDOKUCXKL-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.70
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?

The IUPAC name of dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane (CID 157367825) is dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane.

What is the SMILES notation for dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?

The canonical SMILES for dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane is CB(C)O.CB1OC(C)(C)C(C)(C)O1.CB1OCC(C)(C)CO1.CB1OCCCO1.CB1OCCO1.

What is the InChIKey of dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?

The InChIKey is BJJZMHDOKUCXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C6H13BO2.C4H9BO2.C3H7BO2.C2H7BO/c1-6(2)7(3,4)10-8(5)9-6;1-6(2)4-8-7(3)9-5-6;1-5-6-3-2-4-7-5;1-4-5-2-3-6-4;1-3(2)4/h1-5H3;4-5H2,1-3H3;2-4H2,1H3;2-3H2,1H3;4H,1-2H3.

What are the key properties of dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?

dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane has a molecular weight of 513.70 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 157367825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).