6-thiophen-3-ylhexanoic acid

C10H14O2S — CID 24722734

IUPAC6-thiophen-3-ylhexanoic acid
SMILESO=C(O)CCCCCc1ccsc1
InChIInChI=1S/C10H14O2S/c11-10(12)5-3-1-2-4-9-6-7-13-8-9/h6-8H,1-5H2,(H,11,12)
InChIKeyRRMBURAUBFTQEY-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.94
Rot. Bonds6

About 6-thiophen-3-ylhexanoic acid

6-thiophen-3-ylhexanoic acid (PubChem CID 24722734) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-thiophen-3-ylhexanoic acid.

Molecular Properties

Compound Name6-thiophen-3-ylhexanoic acid
PubChem CID24722734
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name6-thiophen-3-ylhexanoic acid
SMILESO=C(O)CCCCCc1ccsc1
InChIInChI=1S/C10H14O2S/c11-10(12)5-3-1-2-4-9-6-7-13-8-9/h6-8H,1-5H2,(H,11,12)
InChIKeyRRMBURAUBFTQEY-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-thiophen-3-ylpentanamide
CID 11171370
1-phenyl-5-thiophen-3-ylpentan-1-one
CID 64503847
5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid
CID 139921995
1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244
5-[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 54929889
4-thiophen-3-ylbutanoate
CID 86324435
6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
4-thiophen-3-ylbutan-1-ol
CID 54222621
15-phenylpentadecanoic acid
CID 2737151
8-thiophen-3-yloctane-1-sulfonic acid
CID 87451833
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-ylhexanoic acid?
The IUPAC name of 6-thiophen-3-ylhexanoic acid (CID 24722734) is 6-thiophen-3-ylhexanoic acid.
What is the SMILES notation for 6-thiophen-3-ylhexanoic acid?
The canonical SMILES for 6-thiophen-3-ylhexanoic acid is O=C(O)CCCCCc1ccsc1.
What is the InChIKey of 6-thiophen-3-ylhexanoic acid?
The InChIKey is RRMBURAUBFTQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c11-10(12)5-3-1-2-4-9-6-7-13-8-9/h6-8H,1-5H2,(H,11,12).
What are the key properties of 6-thiophen-3-ylhexanoic acid?
6-thiophen-3-ylhexanoic acid has a molecular weight of 198.29 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-ylhexanoic acid is sourced from PubChem (CID 24722734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).