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

C14H20O2S — CID 106203300

IUPAC2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)COCCC2CCC2)c(C)s1
InChIInChI=1S/C14H20O2S/c1-10-8-13(11(2)17-10)14(15)9-16-7-6-12-4-3-5-12/h8,12H,3-7,9H2,1-2H3
InChIKeyGAQZFTVOFMEOHG-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.75
Rot. Bonds6

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

2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 106203300) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID106203300
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)COCCC2CCC2)c(C)s1
InChIInChI=1S/C14H20O2S/c1-10-8-13(11(2)17-10)14(15)9-16-7-6-12-4-3-5-12/h8,12H,3-7,9H2,1-2H3
InChIKeyGAQZFTVOFMEOHG-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43800187
1-(2,5-dimethylthiophen-3-yl)-2-pent-4-enoxyethanone
CID 79113773
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
2-but-2-enoxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 76938323
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 114341690
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 115560586
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
CID 43161431
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 106203300) is 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)COCCC2CCC2)c(C)s1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is GAQZFTVOFMEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-10-8-13(11(2)17-10)14(15)9-16-7-6-12-4-3-5-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 106203300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).