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

C26H55B3O6 — CID 145283861

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

5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane (PubChem CID 145283861) has the molecular formula C26H55B3O6 and a molecular weight of 496.16 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
• PubChem CID: 145283861
• Molecular Formula: C26H55B3O6
• Molecular Weight: 496.16 g/mol
• Exact Mass: 496.43
• IUPAC Name: 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
• SMILES: CC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OCC(C)(C)CO1.CC1CC(C)(C)OB(C(C)C)O1
• InChI: InChI=1S/2C9H19BO2.C8H17BO2/c1-7(2)10-11-8(3)6-9(4,5)12-10;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/h7-8H,6H2,1-5H3;7H,1-6H3;7H,5-6H2,1-4H3
• InChIKey: UHDYGOPXNPJTSM-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.16
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane?

The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane (CID 145283861) is 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane.

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

The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane is CC(C)B1OC(C)(C)C(C)(C)O1.CC(C)B1OCC(C)(C)CO1.CC1CC(C)(C)OB(C(C)C)O1.

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

The InChIKey is UHDYGOPXNPJTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19BO2.C8H17BO2/c1-7(2)10-11-8(3)6-9(4,5)12-10;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/h7-8H,6H2,1-5H3;7H,1-6H3;7H,5-6H2,1-4H3.

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

5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane has a molecular weight of 496.16 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 145283861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).