5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid

C13H22O3SSi — CID 18629051

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(C(=O)O)s1
InChIInChI=1S/C13H22O3SSi/c1-13(2,3)18(4,5)16-9-8-10-6-7-11(17-10)12(14)15/h6-7H,8-9H2,1-5H3,(H,14,15)
InChIKeyAMLPDCLPCFGGJZ-UHFFFAOYSA-N
MW286.47 g/mol
LogP4.01
Rot. Bonds5

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid (PubChem CID 18629051) has the molecular formula C13H22O3SSi and a molecular weight of 286.47 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
PubChem CID18629051
Molecular FormulaC13H22O3SSi
Molecular Weight286.47 g/mol
Exact Mass286.11
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(C(=O)O)s1
InChIInChI=1S/C13H22O3SSi/c1-13(2,3)18(4,5)16-9-8-10-6-7-11(17-10)12(14)15/h6-7H,8-9H2,1-5H3,(H,14,15)
InChIKeyAMLPDCLPCFGGJZ-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate
CID 91809539
5-[3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoro-2-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
CID 175035251
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315
2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]furan-2-yl]acetic acid
CID 69168510
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
CID 131735364
5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
5-(iodomethyl)thiophene-2-carboxylic acid
CID 89145755
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110203
5-[(2-tert-butyl-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416216
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid (CID 18629051) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid?
The InChIKey is AMLPDCLPCFGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3SSi/c1-13(2,3)18(4,5)16-9-8-10-6-7-11(17-10)12(14)15/h6-7H,8-9H2,1-5H3,(H,14,15).
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid has a molecular weight of 286.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 18629051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).