2-(thiophene-2-carbonyl)hexanoic acid

C11H14O3S — CID 69343472

IUPAC2-(thiophene-2-carbonyl)hexanoic acid
SMILESCCCCC(C(=O)O)C(=O)c1cccs1
InChIInChI=1S/C11H14O3S/c1-2-3-5-8(11(13)14)10(12)9-6-4-7-15-9/h4,6-8H,2-3,5H2,1H3,(H,13,14)
InChIKeySAVJMQAHWPLZDN-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.82
Rot. Bonds6

About 2-(thiophene-2-carbonyl)hexanoic acid

2-(thiophene-2-carbonyl)hexanoic acid (PubChem CID 69343472) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(thiophene-2-carbonyl)hexanoic acid.

Molecular Properties

Compound Name2-(thiophene-2-carbonyl)hexanoic acid
PubChem CID69343472
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-(thiophene-2-carbonyl)hexanoic acid
SMILESCCCCC(C(=O)O)C(=O)c1cccs1
InChIInChI=1S/C11H14O3S/c1-2-3-5-8(11(13)14)10(12)9-6-4-7-15-9/h4,6-8H,2-3,5H2,1H3,(H,13,14)
InChIKeySAVJMQAHWPLZDN-UHFFFAOYSA-N
XLogP2.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
CID 3628681
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
4-oxo-2-(thiophene-2-carbonyl)heptanoic acid
CID 68665065
3-butylsulfanyl-2-(butylsulfanylmethyl)-1-thiophen-2-ylpropan-1-one
CID 13468320
2-methyl-1-thiophen-2-yldecane-1,3-dione
CID 61333341
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
CID 71721462

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonyl)hexanoic acid?
The IUPAC name of 2-(thiophene-2-carbonyl)hexanoic acid (CID 69343472) is 2-(thiophene-2-carbonyl)hexanoic acid.
What is the SMILES notation for 2-(thiophene-2-carbonyl)hexanoic acid?
The canonical SMILES for 2-(thiophene-2-carbonyl)hexanoic acid is CCCCC(C(=O)O)C(=O)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonyl)hexanoic acid?
The InChIKey is SAVJMQAHWPLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-2-3-5-8(11(13)14)10(12)9-6-4-7-15-9/h4,6-8H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-(thiophene-2-carbonyl)hexanoic acid?
2-(thiophene-2-carbonyl)hexanoic acid has a molecular weight of 226.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonyl)hexanoic acid is sourced from PubChem (CID 69343472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).