3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid

C10H14O4S — CID 63641034

IUPAC3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
SMILESCCOCCOCc1ccsc1C(=O)O
InChIInChI=1S/C10H14O4S/c1-2-13-4-5-14-7-8-3-6-15-9(8)10(11)12/h3,6H,2,4-5,7H2,1H3,(H,11,12)
InChIKeyZEEKSWNLIIARAE-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.00
Rot. Bonds7

About 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid

3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid (PubChem CID 63641034) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
PubChem CID63641034
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
SMILESCCOCCOCc1ccsc1C(=O)O
InChIInChI=1S/C10H14O4S/c1-2-13-4-5-14-7-8-3-6-15-9(8)10(11)12/h3,6H,2,4-5,7H2,1H3,(H,11,12)
InChIKeyZEEKSWNLIIARAE-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyethoxymethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid (CID 63641034) is 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid is CCOCCOCc1ccsc1C(=O)O.
What is the InChIKey of 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid?
The InChIKey is ZEEKSWNLIIARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-2-13-4-5-14-7-8-3-6-15-9(8)10(11)12/h3,6H,2,4-5,7H2,1H3,(H,11,12).
What are the key properties of 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid?
3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid has a molecular weight of 230.28 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63641034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).