4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane

C21H38B2O4 — CID 134904465

About 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane (PubChem CID 134904465) has the molecular formula C21H38B2O4 and a molecular weight of 376.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane
• PubChem CID: 134904465
• Molecular Formula: C21H38B2O4
• Molecular Weight: 376.16 g/mol
• Exact Mass: 376.30
• IUPAC Name: 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane
• SMILES: C=C(B1OC(C)(C)C(C)(C)O1)C1(C)CCCCC1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C21H38B2O4/c1-15(22-24-17(2,3)18(4,5)25-22)21(10)14-12-11-13-16(21)23-26-19(6,7)20(8,9)27-23/h16H,1,11-14H2,2-10H3
• InChIKey: UBAVLLXNRMORKO-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.16
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane (CID 134904465) is 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1(C)CCCCC1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane?

The InChIKey is UBAVLLXNRMORKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38B2O4/c1-15(22-24-17(2,3)18(4,5)25-22)21(10)14-12-11-13-16(21)23-26-19(6,7)20(8,9)27-23/h16H,1,11-14H2,2-10H3.

What are the key properties of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane has a molecular weight of 376.16 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).