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

C24H47B3O6 — CID 154712536

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

4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane (PubChem CID 154712536) has the molecular formula C24H47B3O6 and a molecular weight of 464.07 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane
• PubChem CID: 154712536
• Molecular Formula: C24H47B3O6
• Molecular Weight: 464.07 g/mol
• Exact Mass: 464.37
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane
• SMILES: CC(C)C[C@H](B1OC(C)(C)C(C)(C)O1)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C24H47B3O6/c1-16(2)15-17(25-28-19(3,4)20(5,6)29-25)18(26-30-21(7,8)22(9,10)31-26)27-32-23(11,12)24(13,14)33-27/h16-18H,15H2,1-14H3/t17-/m0/s1
• InChIKey: QEGRWHZYLMQHIP-KRWDZBQOSA-N
• XLogP: 5.59
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.07
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane (CID 154712536) is 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane.

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

The canonical SMILES for 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane is CC(C)C[C@H](B1OC(C)(C)C(C)(C)O1)C(B1OC(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)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane?

The InChIKey is QEGRWHZYLMQHIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H47B3O6/c1-16(2)15-17(25-28-19(3,4)20(5,6)29-25)18(26-30-21(7,8)22(9,10)31-26)27-32-23(11,12)24(13,14)33-27/h16-18H,15H2,1-14H3/t17-/m0/s1.

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

4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 464.07 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-2-[(2R)-4-methyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 154712536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).