1-(5-ethylthiophen-2-yl)hexan-3-one

C12H18OS — CID 43370314

IUPAC1-(5-ethylthiophen-2-yl)hexan-3-one
SMILESCCCC(=O)CCc1ccc(CC)s1
InChIInChI=1S/C12H18OS/c1-3-5-10(13)6-7-12-9-8-11(4-2)14-12/h8-9H,3-7H2,1-2H3
InChIKeyKTBIQBYVMYSLPJ-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.61
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)hexan-3-one

1-(5-ethylthiophen-2-yl)hexan-3-one (PubChem CID 43370314) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)hexan-3-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)hexan-3-one
PubChem CID43370314
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-(5-ethylthiophen-2-yl)hexan-3-one
SMILESCCCC(=O)CCc1ccc(CC)s1
InChIInChI=1S/C12H18OS/c1-3-5-10(13)6-7-12-9-8-11(4-2)14-12/h8-9H,3-7H2,1-2H3
InChIKeyKTBIQBYVMYSLPJ-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
3-(5-ethylthiophen-2-yl)-1-phenylpropan-1-one
CID 43175810
2,5-diethylthiophene
CID 521294
6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one
CID 64502667
2-dodecyl-5-ethylthiophene
CID 528251
1-(1,3-thiazol-5-yl)hexan-3-one
CID 112641236
2,5-dipropylthiophene
CID 587485
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(5-ethylthiophen-2-yl)-4,4-dimethylpentan-2-one
CID 63892354
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
2-(3-bromopentyl)-5-ethylthiophene
CID 63471038

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)hexan-3-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)hexan-3-one (CID 43370314) is 1-(5-ethylthiophen-2-yl)hexan-3-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)hexan-3-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)hexan-3-one is CCCC(=O)CCc1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)hexan-3-one?
The InChIKey is KTBIQBYVMYSLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-5-10(13)6-7-12-9-8-11(4-2)14-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)hexan-3-one?
1-(5-ethylthiophen-2-yl)hexan-3-one has a molecular weight of 210.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)hexan-3-one is sourced from PubChem (CID 43370314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).