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

C17H32B2O4 — CID 138984180

About 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-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)but-3-enyl]-1,3,2-dioxaborolane (PubChem CID 138984180) has the molecular formula C17H32B2O4 and a molecular weight of 322.06 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)but-3-enyl]-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)but-3-enyl]-1,3,2-dioxaborolane
• PubChem CID: 138984180
• Molecular Formula: C17H32B2O4
• Molecular Weight: 322.06 g/mol
• Exact Mass: 322.25
• IUPAC Name: 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
• SMILES: C=C[C@H](C)C(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C17H32B2O4/c1-11-12(2)13(18-20-14(3,4)15(5,6)21-18)19-22-16(7,8)17(9,10)23-19/h11-13H,1H2,2-10H3/t12-/m0/s1
• InChIKey: BIVLCFITGXEAOZ-LBPRGKRZSA-N
• XLogP: 3.90
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.06
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)but-3-enyl]-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)but-3-enyl]-1,3,2-dioxaborolane (CID 138984180) is 4,4,5,5-tetramethyl-2-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-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)but-3-enyl]-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)but-3-enyl]-1,3,2-dioxaborolane is C=C[C@H](C)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)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane?

The InChIKey is BIVLCFITGXEAOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H32B2O4/c1-11-12(2)13(18-20-14(3,4)15(5,6)21-18)19-22-16(7,8)17(9,10)23-19/h11-13H,1H2,2-10H3/t12-/m0/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)but-3-enyl]-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)but-3-enyl]-1,3,2-dioxaborolane has a molecular weight of 322.06 g/mol, XLogP of 3.90, 4 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-[(2R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 138984180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).