4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid

C13H19NO3SSi — CID 59648587

IUPAC4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESC[Si](C)(C)CCOCn1c(C(=O)O)cc2sccc21
InChIInChI=1S/C13H19NO3SSi/c1-19(2,3)7-5-17-9-14-10-4-6-18-12(10)8-11(14)13(15)16/h4,6,8H,5,7,9H2,1-3H3,(H,15,16)
InChIKeyUYHLIOFILQCDGR-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.71
Rot. Bonds6

About 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid

4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 59648587) has the molecular formula C13H19NO3SSi and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID59648587
Molecular FormulaC13H19NO3SSi
Molecular Weight297.45 g/mol
Exact Mass297.09
IUPAC Name4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESC[Si](C)(C)CCOCn1c(C(=O)O)cc2sccc21
InChIInChI=1S/C13H19NO3SSi/c1-19(2,3)7-5-17-9-14-10-4-6-18-12(10)8-11(14)13(15)16/h4,6,8H,5,7,9H2,1-3H3,(H,15,16)
InChIKeyUYHLIOFILQCDGR-UHFFFAOYSA-N
XLogP3.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid (CID 59648587) is 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid is C[Si](C)(C)CCOCn1c(C(=O)O)cc2sccc21.
What is the InChIKey of 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is UYHLIOFILQCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3SSi/c1-19(2,3)7-5-17-9-14-10-4-6-18-12(10)8-11(14)13(15)16/h4,6,8H,5,7,9H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid?
4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 297.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 59648587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).