3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate

C14H18O4S — CID 134608459

IUPAC3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OC)csc1C1CCCC1
InChIInChI=1S/C14H18O4S/c1-3-18-14(16)11-10(13(15)17-2)8-19-12(11)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVGSKNABRCZZBOY-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.37
Rot. Bonds4

About 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate

3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate (PubChem CID 134608459) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate
PubChem CID134608459
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OC)csc1C1CCCC1
InChIInChI=1S/C14H18O4S/c1-3-18-14(16)11-10(13(15)17-2)8-19-12(11)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVGSKNABRCZZBOY-UHFFFAOYSA-N
XLogP3.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748162
methyl 4-cyclohexylthiophene-3-carboxylate
CID 114748233
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
CID 174355593
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
CID 102222265
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
CID 64593291

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate?
The IUPAC name of 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate (CID 134608459) is 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate?
The canonical SMILES for 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate is CCOC(=O)c1c(C(=O)OC)csc1C1CCCC1.
What is the InChIKey of 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate?
The InChIKey is VGSKNABRCZZBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-3-18-14(16)11-10(13(15)17-2)8-19-12(11)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate?
3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate has a molecular weight of 282.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate is sourced from PubChem (CID 134608459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).