methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate

C10H12O5S — CID 1482541

IUPACmethyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate
SMILESCCOC(=O)COc1ccsc1C(=O)OC
InChIInChI=1S/C10H12O5S/c1-3-14-8(11)6-15-7-4-5-16-9(7)10(12)13-2/h4-5H,3,6H2,1-2H3
InChIKeyMGVOGNVDLGQZHF-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.48
Rot. Bonds5

About methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate

methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate (PubChem CID 1482541) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate
PubChem CID1482541
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Namemethyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate
SMILESCCOC(=O)COc1ccsc1C(=O)OC
InChIInChI=1S/C10H12O5S/c1-3-14-8(11)6-15-7-4-5-16-9(7)10(12)13-2/h4-5H,3,6H2,1-2H3
InChIKeyMGVOGNVDLGQZHF-UHFFFAOYSA-N
XLogP1.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate (CID 1482541) is methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate is CCOC(=O)COc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate?
The InChIKey is MGVOGNVDLGQZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-3-14-8(11)6-15-7-4-5-16-9(7)10(12)13-2/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate?
methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate is sourced from PubChem (CID 1482541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).