2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate

C10H14O4S — CID 20721864

IUPAC2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate
SMILESCOC(C)OCCOC(=O)c1cccs1
InChIInChI=1S/C10H14O4S/c1-8(12-2)13-5-6-14-10(11)9-4-3-7-15-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJUPVBAPBJSWQBE-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.91
Rot. Bonds6

About 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate

2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate (PubChem CID 20721864) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate
PubChem CID20721864
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate
SMILESCOC(C)OCCOC(=O)c1cccs1
InChIInChI=1S/C10H14O4S/c1-8(12-2)13-5-6-14-10(11)9-4-3-7-15-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJUPVBAPBJSWQBE-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate (CID 20721864) is 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate is COC(C)OCCOC(=O)c1cccs1.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate?
The InChIKey is JUPVBAPBJSWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-8(12-2)13-5-6-14-10(11)9-4-3-7-15-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate?
2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate has a molecular weight of 230.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl thiophene-2-carboxylate is sourced from PubChem (CID 20721864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).