2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C33H68B8O16 — CID 158790881

About 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158790881) has the molecular formula C33H68B8O16 and a molecular weight of 807.39 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158790881
• Molecular Formula: C33H68B8O16
• Molecular Weight: 807.39 g/mol
• Exact Mass: 808.53
• IUPAC Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C1COB(B2OCCCO2)OC1.C1COB(B2OCCO2)O1.CC1(C)COB(B2OCC(C)(C)CO2)OC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
• InChI: InChI=1S/C12H24B2O4.C10H20B2O4.C6H12B2O4.C4H8B2O4.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-8-5(7-1)6-9-3-4-10-6;/h1-8H3;5-8H2,1-4H3;1-6H2;1-4H2;1H4
• InChIKey: ISGLMGPOPYXBPG-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.39
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158790881) is 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C1COB(B2OCCCO2)OC1.C1COB(B2OCCO2)O1.CC1(C)COB(B2OCC(C)(C)CO2)OC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.

What is the InChIKey of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is ISGLMGPOPYXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4.C10H20B2O4.C6H12B2O4.C4H8B2O4.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-8-5(7-1)6-9-3-4-10-6;/h1-8H3;5-8H2,1-4H3;1-6H2;1-4H2;1H4.

What are the key properties of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 807.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158790881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).