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

C₄₀H₈₅B₅O₁₀ — CID 159426041

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

5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane (PubChem CID 159426041) has the molecular formula C₄₀H₈₅B₅O₁₀ and a molecular weight of 780.17 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
• PubChem CID: 159426041
• Molecular Formula: C₄₀H₈₅B₅O₁₀
• Molecular Weight: 780.17 g/mol
• Exact Mass: 780.66
• IUPAC Name: 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
• SMILES: CC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OC(C)(C)CC(C)(C)O1.CC(C)B1OCC(C)(C)CO1.CC(C)B1OCCCO1.CC1COB(C(C)C)OC1
• InChI: InChI=1S/C10H21BO2.C9H19BO2.C8H17BO2.C7H15BO2.C6H13BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11;1-7(2)10-11-8(3,4)9(5,6)12-10;1-7(2)9-10-5-8(3,4)6-11-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)7-8-4-3-5-9-7/h8H,7H2,1-6H3;7H,1-6H3;7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3
• InChIKey: LQJCIICSUSJCFK-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.17
LogP ≤ 5	10.21
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 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?

The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane (CID 159426041) is 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane.

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

The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane is CC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OC(C)(C)CC(C)(C)O1.CC(C)B1OCC(C)(C)CO1.CC(C)B1OCCCO1.CC1COB(C(C)C)OC1.

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

The InChIKey is LQJCIICSUSJCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2.C9H19BO2.C8H17BO2.C7H15BO2.C6H13BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11;1-7(2)10-11-8(3,4)9(5,6)12-10;1-7(2)9-10-5-8(3,4)6-11-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)7-8-4-3-5-9-7/h8H,7H2,1-6H3;7H,1-6H3;7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3.

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

5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane has a molecular weight of 780.17 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;5-methyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-dioxaborinane;4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 159426041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159426041 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.