ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate

C12H16O4S — CID 11345878

IUPACethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1csc(CCOC(C)=O)c1C
InChIInChI=1S/C12H16O4S/c1-4-15-12(14)10-7-17-11(8(10)2)5-6-16-9(3)13/h7H,4-6H2,1-3H3
InChIKeySPUUEXVZSDWXQO-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.34
Rot. Bonds5

About ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate

ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate (PubChem CID 11345878) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate
PubChem CID11345878
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Nameethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1csc(CCOC(C)=O)c1C
InChIInChI=1S/C12H16O4S/c1-4-15-12(14)10-7-17-11(8(10)2)5-6-16-9(3)13/h7H,4-6H2,1-3H3
InChIKeySPUUEXVZSDWXQO-UHFFFAOYSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-acetyloxyethyl)benzoate
CID 70067514
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate
CID 114748150
(3,4-dimethylthiophen-2-yl)methyl acetate
CID 101466791
ethyl 4-(dichloromethyl)-5-methylthiophene-3-carboxylate
CID 68941601
ethyl 1-benzothiophene-3-carboxylate
CID 898679
2-(3-acetamido-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl acetate
CID 22734946
ethyl 5-acetyl-4-methyl-1H-pyrrole-3-carboxylate
CID 44718470
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
ethyl 2-(2-acetyloxyethoxymethyl)-5-amino-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
CID 3009797
2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
CID 175462165

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate (CID 11345878) is ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate is CCOC(=O)c1csc(CCOC(C)=O)c1C.
What is the InChIKey of ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate?
The InChIKey is SPUUEXVZSDWXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-4-15-12(14)10-7-17-11(8(10)2)5-6-16-9(3)13/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate?
ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate has a molecular weight of 256.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 11345878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).