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

C25H48B2O4 — CID 134904588

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

4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane (PubChem CID 134904588) has the molecular formula C25H48B2O4 and a molecular weight of 434.28 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane
• PubChem CID: 134904588
• Molecular Formula: C25H48B2O4
• Molecular Weight: 434.28 g/mol
• Exact Mass: 434.37
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane
• SMILES: CCCCCCCC/C(B1OC(C)(C)C(C)(C)O1)=C(\CCC)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C25H48B2O4/c1-11-13-14-15-16-17-19-21(27-30-24(7,8)25(9,10)31-27)20(18-12-2)26-28-22(3,4)23(5,6)29-26/h11-19H2,1-10H3/b21-20-
• InChIKey: FUJNJUIMYZOMFZ-MRCUWXFGSA-N
• XLogP: 7.10
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.28
LogP ≤ 5	7.10
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-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane (CID 134904588) is 4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane.

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

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

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

The InChIKey is FUJNJUIMYZOMFZ-MRCUWXFGSA-N. The full InChI is InChI=1S/C25H48B2O4/c1-11-13-14-15-16-17-19-21(27-30-24(7,8)25(9,10)31-27)20(18-12-2)26-28-22(3,4)23(5,6)29-26/h11-19H2,1-10H3/b21-20-.

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

4,4,5,5-tetramethyl-2-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane has a molecular weight of 434.28 g/mol, XLogP of 7.10, 11 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-[(1Z)-1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butylidene]nonyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134904588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).