tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane

C26H37BN2O3Si — CID 140798210

About tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane (PubChem CID 140798210) has the molecular formula C26H37BN2O3Si and a molecular weight of 464.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane
• PubChem CID: 140798210
• Molecular Formula: C26H37BN2O3Si
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.27
• IUPAC Name: tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane
• SMILES: CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)OC1(C)C
• InChI: InChI=1S/C26H37BN2O3Si/c1-24(2,3)33(8,9)30-18-19-11-10-12-22(15-19)29-23-16-21(14-13-20(23)17-28-29)27-31-25(4,5)26(6,7)32-27/h10-17H,18H2,1-9H3
• InChIKey: DTSFDQCJICFVPU-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 45.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	5.85
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 tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane (CID 140798210) is tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane is CC1(C)OB(c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)OC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane?

The InChIKey is DTSFDQCJICFVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37BN2O3Si/c1-24(2,3)33(8,9)30-18-19-11-10-12-22(15-19)29-23-16-21(14-13-20(23)17-28-29)27-31-25(4,5)26(6,7)32-27/h10-17H,18H2,1-9H3.

What are the key properties of tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane?

tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane has a molecular weight of 464.49 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane is sourced from PubChem (CID 140798210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).