2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane

C26H57B5O10 — CID 160881243

About 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane

2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane (PubChem CID 160881243) has the molecular formula C26H57B5O10 and a molecular weight of 583.79 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
• PubChem CID: 160881243
• Molecular Formula: C26H57B5O10
• Molecular Weight: 583.79 g/mol
• Exact Mass: 584.44
• IUPAC Name: 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
• SMILES: CB1OC(C)(C)C(C)(C)O1.CB1OC(C)CC(C)(C)O1.CB1OCC(C)CO1.CB1OCCCO1.CB1OCCO1
• InChI: InChI=1S/2C7H15BO2.C5H11BO2.C4H9BO2.C3H7BO2/c1-6-5-7(2,3)10-8(4)9-6;1-6(2)7(3,4)10-8(5)9-6;1-5-3-7-6(2)8-4-5;1-5-6-3-2-4-7-5;1-4-5-2-3-6-4/h6H,5H2,1-4H3;1-5H3;5H,3-4H2,1-2H3;2-4H2,1H3;2-3H2,1H3
• InChIKey: SNBBZCUOGFTBSR-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.79
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?

The IUPAC name of 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane (CID 160881243) is 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane.

What is the SMILES notation for 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?

The canonical SMILES for 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane is CB1OC(C)(C)C(C)(C)O1.CB1OC(C)CC(C)(C)O1.CB1OCC(C)CO1.CB1OCCCO1.CB1OCCO1.

What is the InChIKey of 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?

The InChIKey is SNBBZCUOGFTBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15BO2.C5H11BO2.C4H9BO2.C3H7BO2/c1-6-5-7(2,3)10-8(4)9-6;1-6(2)7(3,4)10-8(5)9-6;1-5-3-7-6(2)8-4-5;1-5-6-3-2-4-7-5;1-4-5-2-3-6-4/h6H,5H2,1-4H3;1-5H3;5H,3-4H2,1-2H3;2-4H2,1H3;2-3H2,1H3.

What are the key properties of 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane?

2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane has a molecular weight of 583.79 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 160881243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).