2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

C14H22O3S — CID 43800187

IUPAC2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCCCCOCCOCC(=O)c1cc(C)sc1C
InChIInChI=1S/C14H22O3S/c1-4-5-6-16-7-8-17-10-14(15)13-9-11(2)18-12(13)3/h9H,4-8,10H2,1-3H3
InChIKeyXABQFMNAGQLTMB-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.38
Rot. Bonds9

About 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 43800187) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID43800187
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCCCCOCCOCC(=O)c1cc(C)sc1C
InChIInChI=1S/C14H22O3S/c1-4-5-6-16-7-8-17-10-14(15)13-9-11(2)18-12(13)3/h9H,4-8,10H2,1-3H3
InChIKeyXABQFMNAGQLTMB-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-pent-4-enoxyethanone
CID 79113773
2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 106203300
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452
2-but-2-enoxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 76938323
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 114341690
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
1-(2,5-dimethylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206517
2-(4-butan-2-ylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 107666360
1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612546

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 43800187) is 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is CCCCOCCOCC(=O)c1cc(C)sc1C.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is XABQFMNAGQLTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-4-5-6-16-7-8-17-10-14(15)13-9-11(2)18-12(13)3/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 270.39 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 43800187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).