methyl 2-(5-butanoylthiophen-2-yl)acetate

C11H14O3S — CID 13224044

IUPACmethyl 2-(5-butanoylthiophen-2-yl)acetate
SMILESCCCC(=O)c1ccc(CC(=O)OC)s1
InChIInChI=1S/C11H14O3S/c1-3-4-9(12)10-6-5-8(15-10)7-11(13)14-2/h5-6H,3-4,7H2,1-2H3
InChIKeyKDSSNHLDVAEOTF-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-(5-butanoylthiophen-2-yl)acetate

methyl 2-(5-butanoylthiophen-2-yl)acetate (PubChem CID 13224044) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-(5-butanoylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-butanoylthiophen-2-yl)acetate
PubChem CID13224044
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Namemethyl 2-(5-butanoylthiophen-2-yl)acetate
SMILESCCCC(=O)c1ccc(CC(=O)OC)s1
InChIInChI=1S/C11H14O3S/c1-3-4-9(12)10-6-5-8(15-10)7-11(13)14-2/h5-6H,3-4,7H2,1-2H3
InChIKeyKDSSNHLDVAEOTF-UHFFFAOYSA-N
XLogP2.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[2-(3,4-dimethylphenyl)acetyl]thiophen-2-yl]acetate
CID 82886040
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899
methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate
CID 103309446
methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884896
methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
CID 82884808
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
ethyl 8-[5-(8-methoxy-8-oxooctyl)thiophen-2-yl]-8-oxooctanoate
CID 10670033
methyl 2-[5-(2-bromo-3-methylbenzoyl)thiophen-2-yl]acetate
CID 107981742
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
CID 82885819

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-butanoylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(5-butanoylthiophen-2-yl)acetate (CID 13224044) is methyl 2-(5-butanoylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-butanoylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(5-butanoylthiophen-2-yl)acetate is CCCC(=O)c1ccc(CC(=O)OC)s1.
What is the InChIKey of methyl 2-(5-butanoylthiophen-2-yl)acetate?
The InChIKey is KDSSNHLDVAEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-3-4-9(12)10-6-5-8(15-10)7-11(13)14-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(5-butanoylthiophen-2-yl)acetate?
methyl 2-(5-butanoylthiophen-2-yl)acetate has a molecular weight of 226.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-butanoylthiophen-2-yl)acetate is sourced from PubChem (CID 13224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).