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

C23H38BNO4Si — CID 56850686

IUPAC2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOCc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C23H38BNO4Si/c1-9-26-16-20-15-18-14-19(24-28-22(2,3)23(4,5)29-24)10-11-21(18)25(20)17-27-12-13-30(6,7)8/h10-11,14-15H,9,12-13,16-17H2,1-8H3
InChIKeyBZYRWBQXRAIWPA-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.79
Rot. Bonds9

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

2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 56850686) has the molecular formula C23H38BNO4Si and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID56850686
Molecular FormulaC23H38BNO4Si
Molecular Weight431.46 g/mol
Exact Mass431.27
IUPAC Name2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOCc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C23H38BNO4Si/c1-9-26-16-20-15-18-14-19(24-28-22(2,3)23(4,5)29-24)10-11-21(18)25(20)17-27-12-13-30(6,7)8/h10-11,14-15H,9,12-13,16-17H2,1-8H3
InChIKeyBZYRWBQXRAIWPA-UHFFFAOYSA-N
XLogP4.79
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177353725
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-bis(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 175715318
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
CID 169114168
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(2-trimethylsilylethoxymethyl)tetrazol-5-one
CID 131734179
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 170994474
CID 88941720
CID 88941720
2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 66791287
2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one
CID 165406379
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163233343
trimethyl-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 71280066
2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718579

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane (CID 56850686) is 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane is CCOCc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BZYRWBQXRAIWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38BNO4Si/c1-9-26-16-20-15-18-14-19(24-28-22(2,3)23(4,5)29-24)10-11-21(18)25(20)17-27-12-13-30(6,7)8/h10-11,14-15H,9,12-13,16-17H2,1-8H3.
What are the key properties of 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 431.46 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 56850686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).