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

C20H36B2O4 — CID 135001523

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

4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane (PubChem CID 135001523) has the molecular formula C20H36B2O4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane
• PubChem CID: 135001523
• Molecular Formula: C20H36B2O4
• Molecular Weight: 362.13 g/mol
• Exact Mass: 362.28
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(/C2=C(\B3OC(C)(C)C(C)(C)O3)CCCCCC2)OC1(C)C
• InChI: InChI=1S/C20H36B2O4/c1-17(2)18(3,4)24-21(23-17)15-13-11-9-10-12-14-16(15)22-25-19(5,6)20(7,8)26-22/h9-14H2,1-8H3/b16-15-
• InChIKey: WFGKFDYNOYLBCB-NXVVXOECSA-N
• XLogP: 4.90
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.13
LogP ≤ 5	4.90
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-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane (CID 135001523) is 4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane.

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

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane is CC1(C)OB(/C2=C(\B3OC(C)(C)C(C)(C)O3)CCCCCC2)OC1(C)C.

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

The InChIKey is WFGKFDYNOYLBCB-NXVVXOECSA-N. The full InChI is InChI=1S/C20H36B2O4/c1-17(2)18(3,4)24-21(23-17)15-13-11-9-10-12-14-16(15)22-25-19(5,6)20(7,8)26-22/h9-14H2,1-8H3/b16-15-.

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

4,4,5,5-tetramethyl-2-[(1Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane has a molecular weight of 362.13 g/mol, XLogP of 4.90, 2 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)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloocten-1-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 135001523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).