tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane

C21H34BClN2O3Si — CID 156673990

About tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane

tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane (PubChem CID 156673990) has the molecular formula C21H34BClN2O3Si and a molecular weight of 436.87 g/mol. Its IUPAC name is tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane
• PubChem CID: 156673990
• Molecular Formula: C21H34BClN2O3Si
• Molecular Weight: 436.87 g/mol
• Exact Mass: 436.21
• IUPAC Name: tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane
• SMILES: Cn1nc2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2c1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H34BClN2O3Si/c1-19(2,3)29(9,10)26-13-16-17-15(24-25(16)8)12-11-14(18(17)23)22-27-20(4,5)21(6,7)28-22/h11-12H,13H2,1-10H3
• InChIKey: PIOAZXGPBSOWSN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 45.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.87
LogP ≤ 5	5.05
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-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane (CID 156673990) is tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane is Cn1nc2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2c1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane?

The InChIKey is PIOAZXGPBSOWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34BClN2O3Si/c1-19(2,3)29(9,10)26-13-16-17-15(24-25(16)8)12-11-14(18(17)23)22-27-20(4,5)21(6,7)28-22/h11-12H,13H2,1-10H3.

What are the key properties of tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane?

tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane has a molecular weight of 436.87 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 156673990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).