4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane

C23H44B2O4 — CID 134950873

About 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane (PubChem CID 134950873) has the molecular formula C23H44B2O4 and a molecular weight of 406.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane
• PubChem CID: 134950873
• Molecular Formula: C23H44B2O4
• Molecular Weight: 406.23 g/mol
• Exact Mass: 406.34
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane
• SMILES: CCCCCCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C23H44B2O4/c1-11-12-13-14-15-16-17-19(25-28-22(7,8)23(9,10)29-25)18(2)24-26-20(3,4)21(5,6)27-24/h11-17H2,1-10H3/b19-18-
• InChIKey: VMHQSVNRCHVJPP-HNENSFHCSA-N
• XLogP: 6.32
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.23
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane (CID 134950873) is 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane is CCCCCCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane?

The InChIKey is VMHQSVNRCHVJPP-HNENSFHCSA-N. The full InChI is InChI=1S/C23H44B2O4/c1-11-12-13-14-15-16-17-19(25-28-22(7,8)23(9,10)29-25)18(2)24-26-20(3,4)21(5,6)27-24/h11-17H2,1-10H3/b19-18-.

What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane?

4,4,5,5-tetramethyl-2-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane has a molecular weight of 406.23 g/mol, XLogP of 6.32, 9 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-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)undec-2-en-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134950873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).