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

C9H10O5S — CID 3567902

IUPACmethyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
SMILESCOC(=O)COc1ccsc1C(=O)OC
InChIInChI=1S/C9H10O5S/c1-12-7(10)5-14-6-3-4-15-8(6)9(11)13-2/h3-4H,5H2,1-2H3
InChIKeyWJSARGZAIWIRTJ-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.09
Rot. Bonds4

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

methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate (PubChem CID 3567902) has the molecular formula C9H10O5S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
PubChem CID3567902
Molecular FormulaC9H10O5S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Namemethyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
SMILESCOC(=O)COc1ccsc1C(=O)OC
InChIInChI=1S/C9H10O5S/c1-12-7(10)5-14-6-3-4-15-8(6)9(11)13-2/h3-4H,5H2,1-2H3
InChIKeyWJSARGZAIWIRTJ-UHFFFAOYSA-N
XLogP1.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxythiophene-2-carboxylic acid
CID 1483475
Methyl 3-ethoxythiophene-2-carboxylate
CID 2777650
3-Ethoxythiophene-2-carboxylic acid
CID 2777652
2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
CID 75095
3-(Carboxymethoxy)thiophene-2-carboxylic acid
CID 15588112
3-(Carboxymethoxy)-4-methylthiophene-2-carboxylic acid
CID 23646660
Methyl 3-(2-ethoxy-1-methyl-2-oxoethoxy)-2-thiophenecarboxylate
CID 3848343
Methyl 3-methoxythiophene-2-carboxylate
CID 701637
Methyl 3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate
CID 1482541
Methyl 3-(1-methyl-2-oxopropoxy)-2-thiophenecarboxylate
CID 2764365
(Z)-3-(3-methylthiophene-2-carboxylate)-acrylic acid ethyl ester
CID 46906542
Ethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylate
CID 598102

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate (CID 3567902) is methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate is COC(=O)COc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate?
The InChIKey is WJSARGZAIWIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5S/c1-12-7(10)5-14-6-3-4-15-8(6)9(11)13-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate?
methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate has a molecular weight of 230.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate is sourced from PubChem (CID 3567902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).