ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate

C13H18O3S — CID 114748150

IUPACethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate
SMILESCCOC(=O)c1csc2c1C(C)(C)OC2(C)C
InChIInChI=1S/C13H18O3S/c1-6-15-11(14)8-7-17-10-9(8)12(2,3)16-13(10,4)5/h7H,6H2,1-5H3
InChIKeyINMXKAYOVDIGKJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.43
Rot. Bonds2

About ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate

ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate (PubChem CID 114748150) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate
PubChem CID114748150
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Nameethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate
SMILESCCOC(=O)c1csc2c1C(C)(C)OC2(C)C
InChIInChI=1S/C13H18O3S/c1-6-15-11(14)8-7-17-10-9(8)12(2,3)16-13(10,4)5/h7H,6H2,1-5H3
InChIKeyINMXKAYOVDIGKJ-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate with MolForge

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Related Compounds

ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
ethyl 4-(dichloromethyl)-5-methylthiophene-3-carboxylate
CID 68941601
ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate
CID 11345878
ethyl 1-benzothiophene-3-carboxylate
CID 898679
ethyl 4-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)benzoate
CID 164670913
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 114748134
ethyl 3-propyl-1,2-thiazole-4-carboxylate
CID 127263091
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4-methoxythiophene-3-carboxylate
CID 71721051
ethyl 2-arsanylthiophene-3-carboxylate
CID 173196725
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate?
The IUPAC name of ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate (CID 114748150) is ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate.
What is the SMILES notation for ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate?
The canonical SMILES for ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate is CCOC(=O)c1csc2c1C(C)(C)OC2(C)C.
What is the InChIKey of ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate?
The InChIKey is INMXKAYOVDIGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-6-15-11(14)8-7-17-10-9(8)12(2,3)16-13(10,4)5/h7H,6H2,1-5H3.
What are the key properties of ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate?
ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate is sourced from PubChem (CID 114748150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).