3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid

C20H26O10S2 — CID 132917329

IUPAC3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCOCCOCCOCCOCCOc1ccsc1C(=O)O
InChIInChI=1S/C20H26O10S2/c21-19(22)17-15(1-13-31-17)29-11-9-27-7-5-25-3-4-26-6-8-28-10-12-30-16-2-14-32-18(16)20(23)24/h1-2,13-14H,3-12H2,(H,21,22)(H,23,24)
InChIKeyGUUDCHQQENQTJA-UHFFFAOYSA-N
MW490.55 g/mol
LogP2.73
Rot. Bonds19

About 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid

3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid (PubChem CID 132917329) has the molecular formula C20H26O10S2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
PubChem CID132917329
Molecular FormulaC20H26O10S2
Molecular Weight490.55 g/mol
Exact Mass490.10
IUPAC Name3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCOCCOCCOCCOCCOc1ccsc1C(=O)O
InChIInChI=1S/C20H26O10S2/c21-19(22)17-15(1-13-31-17)29-11-9-27-7-5-25-3-4-26-6-8-28-10-12-30-16-2-14-32-18(16)20(23)24/h1-2,13-14H,3-12H2,(H,21,22)(H,23,24)
InChIKeyGUUDCHQQENQTJA-UHFFFAOYSA-N
XLogP2.73
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid (CID 132917329) is 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid is O=C(O)c1sccc1OCCOCCOCCOCCOCCOc1ccsc1C(=O)O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid?
The InChIKey is GUUDCHQQENQTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O10S2/c21-19(22)17-15(1-13-31-17)29-11-9-27-7-5-25-3-4-26-6-8-28-10-12-30-16-2-14-32-18(16)20(23)24/h1-2,13-14H,3-12H2,(H,21,22)(H,23,24).
What are the key properties of 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid?
3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid has a molecular weight of 490.55 g/mol, XLogP of 2.73, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 132917329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).