1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid

C17H25NO4Si — CID 22742897

IUPAC1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid
SMILESCCn1ccc2c(OCOCC[Si](C)(C)C)cc(C(=O)O)cc21
InChIInChI=1S/C17H25NO4Si/c1-5-18-7-6-14-15(18)10-13(17(19)20)11-16(14)22-12-21-8-9-23(2,3)4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,19,20)
InChIKeyDIVWPSLMCDGGIR-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.05
Rot. Bonds8

About 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid

1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid (PubChem CID 22742897) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid
PubChem CID22742897
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Name1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid
SMILESCCn1ccc2c(OCOCC[Si](C)(C)C)cc(C(=O)O)cc21
InChIInChI=1S/C17H25NO4Si/c1-5-18-7-6-14-15(18)10-13(17(19)20)11-16(14)22-12-21-8-9-23(2,3)4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,19,20)
InChIKeyDIVWPSLMCDGGIR-UHFFFAOYSA-N
XLogP4.05
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid?
The IUPAC name of 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid (CID 22742897) is 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid is CCn1ccc2c(OCOCC[Si](C)(C)C)cc(C(=O)O)cc21.
What is the InChIKey of 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid?
The InChIKey is DIVWPSLMCDGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-5-18-7-6-14-15(18)10-13(17(19)20)11-16(14)22-12-21-8-9-23(2,3)4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,19,20).
What are the key properties of 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid?
1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid has a molecular weight of 335.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid is sourced from PubChem (CID 22742897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).