Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane

C₂₄H₆₀B₄O₈ — CID 158891802

About Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane

Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane (PubChem CID 158891802) has the molecular formula C₂₄H₆₀B₄O₈ and a molecular weight of 519.98 g/mol. Its IUPAC name is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane.

Molecular Properties

• Compound Name: Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane
• PubChem CID: 158891802
• Molecular Formula: C₂₄H₆₀B₄O₈
• Molecular Weight: 519.98 g/mol
• Exact Mass: 520.47
• IUPAC Name: diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane
• SMILES: CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCC.CCC.CCOB(C)OCC.COB(C)OC
• InChI: InChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2.2C3H8/c1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4-5-2-3-6-4;1-4(5-2)6-3;2*1-3-2/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3;2*3H2,1-2H3
• InChIKey: JEIFYFBJSBHXAH-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.98
LogP ≤ 5	6.27
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 Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?

The IUPAC name of Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane (CID 158891802) is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane.

What is the SMILES notation for Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?

The canonical SMILES for Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane is CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCC.CCC.CCOB(C)OCC.COB(C)OC.

What is the InChIKey of Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?

The InChIKey is JEIFYFBJSBHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2.2C3H8/c1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4-5-2-3-6-4;1-4(5-2)6-3;2*1-3-2/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3;2*3H2,1-2H3.

What are the key properties of Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?

Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane has a molecular weight of 519.98 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane is sourced from PubChem (CID 158891802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158891802 — identifiers, structure, computed properties (public domain)

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