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

C20H36B2O4 — CID 177433387

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

4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane (PubChem CID 177433387) has the molecular formula C20H36B2O4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane
• PubChem CID: 177433387
• Molecular Formula: C20H36B2O4
• Molecular Weight: 362.13 g/mol
• Exact Mass: 362.28
• IUPAC Name: 4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane
• SMILES: C=C(B1OC(C)(C)C(C)(C)O1)[C@H]1CCCC[C@H]1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C20H36B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)15-12-10-11-13-16(15)22-25-19(6,7)20(8,9)26-22/h15-16H,1,10-13H2,2-9H3/t15-,16-/m1/s1
• InChIKey: NNOKRLPYFXDEHJ-HZPDHXFCSA-N
• XLogP: 4.83
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.13
LogP ≤ 5	4.83
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-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane?

The IUPAC name of 4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane (CID 177433387) is 4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane.

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

The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)[C@H]1CCCC[C@H]1B1OC(C)(C)C(C)(C)O1.

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

The InChIKey is NNOKRLPYFXDEHJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H36B2O4/c1-14(21-23-17(2,3)18(4,5)24-21)15-12-10-11-13-16(15)22-25-19(6,7)20(8,9)26-22/h15-16H,1,10-13H2,2-9H3/t15-,16-/m1/s1.

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

4,4,5,5-tetramethyl-2-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane has a molecular weight of 362.13 g/mol, XLogP of 4.83, 3 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-[1-[(1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 177433387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).