2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C20H33BN2O4Si — CID 163251863

IUPAC2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C20H33BN2O4Si/c1-19(2)20(3,4)27-21(26-19)16-9-10-17-15(18(16)24-5)13-22-23(17)14-25-11-12-28(6,7)8/h9-10,13H,11-12,14H2,1-8H3
InChIKeyPXOHPXWVAMTREH-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.66
Rot. Bonds7

About 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163251863) has the molecular formula C20H33BN2O4Si and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163251863
Molecular FormulaC20H33BN2O4Si
Molecular Weight404.39 g/mol
Exact Mass404.23
IUPAC Name2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C20H33BN2O4Si/c1-19(2)20(3,4)27-21(26-19)16-9-10-17-15(18(16)24-5)13-22-23(17)14-25-11-12-28(6,7)8/h9-10,13H,11-12,14H2,1-8H3
InChIKeyPXOHPXWVAMTREH-UHFFFAOYSA-N
XLogP3.66
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 163251863) is 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1cnn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PXOHPXWVAMTREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33BN2O4Si/c1-19(2)20(3,4)27-21(26-19)16-9-10-17-15(18(16)24-5)13-22-23(17)14-25-11-12-28(6,7)8/h9-10,13H,11-12,14H2,1-8H3.
What are the key properties of 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 404.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163251863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).