methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate

C11H14O5S — CID 3848343

IUPACmethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate
SMILESCCOC(=O)C(C)Oc1ccsc1C(=O)OC
InChIInChI=1S/C11H14O5S/c1-4-15-10(12)7(2)16-8-5-6-17-9(8)11(13)14-3/h5-7H,4H2,1-3H3
InChIKeyZMLGTBXPTCYDHJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.87
Rot. Bonds5

About methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate

methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate (PubChem CID 3848343) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate
PubChem CID3848343
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Namemethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate
SMILESCCOC(=O)C(C)Oc1ccsc1C(=O)OC
InChIInChI=1S/C11H14O5S/c1-4-15-10(12)7(2)16-8-5-6-17-9(8)11(13)14-3/h5-7H,4H2,1-3H3
InChIKeyZMLGTBXPTCYDHJ-UHFFFAOYSA-N
XLogP1.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate?
The IUPAC name of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate (CID 3848343) is methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate is CCOC(=O)C(C)Oc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate?
The InChIKey is ZMLGTBXPTCYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5S/c1-4-15-10(12)7(2)16-8-5-6-17-9(8)11(13)14-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate?
methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate has a molecular weight of 258.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythiophene-2-carboxylate is sourced from PubChem (CID 3848343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).