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

C19H36B2O5 — CID 135061494

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

4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane (PubChem CID 135061494) has the molecular formula C19H36B2O5 and a molecular weight of 366.12 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane
• PubChem CID: 135061494
• Molecular Formula: C19H36B2O5
• Molecular Weight: 366.12 g/mol
• Exact Mass: 366.27
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane
• SMILES: C[C@@H]1CCCCC1(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H36B2O5/c1-14-12-10-11-13-19(14,20-22-15(2,3)16(4,5)23-20)26-21-24-17(6,7)18(8,9)25-21/h14H,10-13H2,1-9H3/t14-,19?/m1/s1
• InChIKey: WAWZRJJPAADKJJ-MJTSIZKDSA-N
• XLogP: 4.17
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.12
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane (CID 135061494) is 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane.

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

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane is C[C@@H]1CCCCC1(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.

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

The InChIKey is WAWZRJJPAADKJJ-MJTSIZKDSA-N. The full InChI is InChI=1S/C19H36B2O5/c1-14-12-10-11-13-19(14,20-22-15(2,3)16(4,5)23-20)26-21-24-17(6,7)18(8,9)25-21/h14H,10-13H2,1-9H3/t14-,19?/m1/s1.

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

4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane has a molecular weight of 366.12 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]oxy-1,3,2-dioxaborolane is sourced from PubChem (CID 135061494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).