ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate

C11H14O3S — CID 14472491

IUPACethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1cccs1)OCC
InChIInChI=1S/C11H14O3S/c1-3-13-10(11(12)14-4-2)8-9-6-5-7-15-9/h5-8H,3-4H2,1-2H3/b10-8-
InChIKeyMMQXMVVOFOKYSS-NTMALXAHSA-N
MW226.30 g/mol
LogP2.69
Rot. Bonds5

About ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate

ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate (PubChem CID 14472491) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate
PubChem CID14472491
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1cccs1)OCC
InChIInChI=1S/C11H14O3S/c1-3-13-10(11(12)14-4-2)8-9-6-5-7-15-9/h5-8H,3-4H2,1-2H3/b10-8-
InChIKeyMMQXMVVOFOKYSS-NTMALXAHSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate (CID 14472491) is ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate is CCOC(=O)/C(=C/c1cccs1)OCC.
What is the InChIKey of ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate?
The InChIKey is MMQXMVVOFOKYSS-NTMALXAHSA-N. The full InChI is InChI=1S/C11H14O3S/c1-3-13-10(11(12)14-4-2)8-9-6-5-7-15-9/h5-8H,3-4H2,1-2H3/b10-8-.
What are the key properties of ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate?
ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate has a molecular weight of 226.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 14472491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).