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

C23H42B2O4 — CID 134904626

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

2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134904626) has the molecular formula C23H42B2O4 and a molecular weight of 404.21 g/mol. Its IUPAC name is 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 134904626
• Molecular Formula: C23H42B2O4
• Molecular Weight: 404.21 g/mol
• Exact Mass: 404.33
• IUPAC Name: 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CCC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)C1CCCCC1
• InChI: InChI=1S/C23H42B2O4/c1-10-14-18(24-26-20(2,3)21(4,5)27-24)19(17-15-12-11-13-16-17)25-28-22(6,7)23(8,9)29-25/h17H,10-16H2,1-9H3/b19-18-
• InChIKey: CJYXCYSYFZKHAD-HNENSFHCSA-N
• XLogP: 5.93
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.21
LogP ≤ 5	5.93
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 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134904626) is 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)C1CCCCC1.

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

The InChIKey is CJYXCYSYFZKHAD-HNENSFHCSA-N. The full InChI is InChI=1S/C23H42B2O4/c1-10-14-18(24-26-20(2,3)21(4,5)27-24)19(17-15-12-11-13-16-17)25-28-22(6,7)23(8,9)29-25/h17H,10-16H2,1-9H3/b19-18-.

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

2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 404.21 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134904626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).