ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate

C13H20O2S — CID 70998151

IUPACethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate
SMILESCCOC(=O)C1=CSC(C2CCCCC2)C1
InChIInChI=1S/C13H20O2S/c1-2-15-13(14)11-8-12(16-9-11)10-6-4-3-5-7-10/h9-10,12H,2-8H2,1H3
InChIKeyVUOSVGAWLJTTDI-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.52
Rot. Bonds3

About ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate

ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate (PubChem CID 70998151) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate
PubChem CID70998151
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate
SMILESCCOC(=O)C1=CSC(C2CCCCC2)C1
InChIInChI=1S/C13H20O2S/c1-2-15-13(14)11-8-12(16-9-11)10-6-4-3-5-7-10/h9-10,12H,2-8H2,1H3
InChIKeyVUOSVGAWLJTTDI-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate?
The IUPAC name of ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate (CID 70998151) is ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate?
The canonical SMILES for ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate is CCOC(=O)C1=CSC(C2CCCCC2)C1.
What is the InChIKey of ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate?
The InChIKey is VUOSVGAWLJTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-2-15-13(14)11-8-12(16-9-11)10-6-4-3-5-7-10/h9-10,12H,2-8H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate?
ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate has a molecular weight of 240.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2,3-dihydrothiophene-4-carboxylate is sourced from PubChem (CID 70998151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).