ethyl 4-thiophen-2-ylbutanoate

C10H14O2S — CID 10330368

IUPACethyl 4-thiophen-2-ylbutanoate
SMILESCCOC(=O)CCCc1cccs1
InChIInChI=1S/C10H14O2S/c1-2-12-10(11)7-3-5-9-6-4-8-13-9/h4,6,8H,2-3,5,7H2,1H3
InChIKeyBENMJXUHMZVAMF-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.63
Rot. Bonds5

About ethyl 4-thiophen-2-ylbutanoate

ethyl 4-thiophen-2-ylbutanoate (PubChem CID 10330368) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is ethyl 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-thiophen-2-ylbutanoate
PubChem CID10330368
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameethyl 4-thiophen-2-ylbutanoate
SMILESCCOC(=O)CCCc1cccs1
InChIInChI=1S/C10H14O2S/c1-2-12-10(11)7-3-5-9-6-4-8-13-9/h4,6,8H,2-3,5,7H2,1H3
InChIKeyBENMJXUHMZVAMF-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-thiophen-2-ylbutanoate?
The IUPAC name of ethyl 4-thiophen-2-ylbutanoate (CID 10330368) is ethyl 4-thiophen-2-ylbutanoate.
What is the SMILES notation for ethyl 4-thiophen-2-ylbutanoate?
The canonical SMILES for ethyl 4-thiophen-2-ylbutanoate is CCOC(=O)CCCc1cccs1.
What is the InChIKey of ethyl 4-thiophen-2-ylbutanoate?
The InChIKey is BENMJXUHMZVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-2-12-10(11)7-3-5-9-6-4-8-13-9/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of ethyl 4-thiophen-2-ylbutanoate?
ethyl 4-thiophen-2-ylbutanoate has a molecular weight of 198.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 10330368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).