ethyl 5-oxo-5-thiophen-2-ylpentanoate

C11H14O3S — CID 94259951

IUPACethyl 5-oxo-5-thiophen-2-ylpentanoate
SMILESCCOC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C11H14O3S/c1-2-14-11(13)7-3-5-9(12)10-6-4-8-15-10/h4,6,8H,2-3,5,7H2,1H3
InChIKeyCRFLJDDWCIWTNC-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.66
Rot. Bonds6

About ethyl 5-oxo-5-thiophen-2-ylpentanoate

ethyl 5-oxo-5-thiophen-2-ylpentanoate (PubChem CID 94259951) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 5-oxo-5-thiophen-2-ylpentanoate.

Molecular Properties

Compound Nameethyl 5-oxo-5-thiophen-2-ylpentanoate
PubChem CID94259951
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameethyl 5-oxo-5-thiophen-2-ylpentanoate
SMILESCCOC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C11H14O3S/c1-2-14-11(13)7-3-5-9(12)10-6-4-8-15-10/h4,6,8H,2-3,5,7H2,1H3
InChIKeyCRFLJDDWCIWTNC-UHFFFAOYSA-N
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78788503
ethyl 11-oxo-9-(thiophene-2-carbonyl)-11-thiophen-2-ylundecanoate
CID 15270642
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate
CID 31782399
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
CID 110298043
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
butanoyl 4-oxo-4-thiophen-2-ylbutanoate
CID 174440154
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-5-thiophen-2-ylpentanoate?
The IUPAC name of ethyl 5-oxo-5-thiophen-2-ylpentanoate (CID 94259951) is ethyl 5-oxo-5-thiophen-2-ylpentanoate.
What is the SMILES notation for ethyl 5-oxo-5-thiophen-2-ylpentanoate?
The canonical SMILES for ethyl 5-oxo-5-thiophen-2-ylpentanoate is CCOC(=O)CCCC(=O)c1cccs1.
What is the InChIKey of ethyl 5-oxo-5-thiophen-2-ylpentanoate?
The InChIKey is CRFLJDDWCIWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-2-14-11(13)7-3-5-9(12)10-6-4-8-15-10/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of ethyl 5-oxo-5-thiophen-2-ylpentanoate?
ethyl 5-oxo-5-thiophen-2-ylpentanoate has a molecular weight of 226.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-5-thiophen-2-ylpentanoate is sourced from PubChem (CID 94259951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).