5-cyclohexylthiophene-3-carboxylic acid

C11H14O2S — CID 59542503

IUPAC5-cyclohexylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(C2CCCCC2)c1
InChIInChI=1S/C11H14O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKeyIXCCTDMPNWUNBK-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.49
Rot. Bonds2

About 5-cyclohexylthiophene-3-carboxylic acid

5-cyclohexylthiophene-3-carboxylic acid (PubChem CID 59542503) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-cyclohexylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexylthiophene-3-carboxylic acid
PubChem CID59542503
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name5-cyclohexylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(C2CCCCC2)c1
InChIInChI=1S/C11H14O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKeyIXCCTDMPNWUNBK-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylthiophene-3-carboxylic acid?
The IUPAC name of 5-cyclohexylthiophene-3-carboxylic acid (CID 59542503) is 5-cyclohexylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexylthiophene-3-carboxylic acid?
The canonical SMILES for 5-cyclohexylthiophene-3-carboxylic acid is O=C(O)c1csc(C2CCCCC2)c1.
What is the InChIKey of 5-cyclohexylthiophene-3-carboxylic acid?
The InChIKey is IXCCTDMPNWUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-11(13)9-6-10(14-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13).
What are the key properties of 5-cyclohexylthiophene-3-carboxylic acid?
5-cyclohexylthiophene-3-carboxylic acid has a molecular weight of 210.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylthiophene-3-carboxylic acid is sourced from PubChem (CID 59542503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).