2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one

C12H18OS — CID 43160928

IUPAC2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
SMILESCCc1ccc(C(=O)C(CC)CC)s1
InChIInChI=1S/C12H18OS/c1-4-9(5-2)12(13)11-8-7-10(6-3)14-11/h7-9H,4-6H2,1-3H3
InChIKeyVSCYRCNARUCKHV-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.93
Rot. Bonds5

About 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one

2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one (PubChem CID 43160928) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
PubChem CID43160928
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one
SMILESCCc1ccc(C(=O)C(CC)CC)s1
InChIInChI=1S/C12H18OS/c1-4-9(5-2)12(13)11-8-7-10(6-3)14-11/h7-9H,4-6H2,1-3H3
InChIKeyVSCYRCNARUCKHV-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
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1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43338849
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
CID 61021518
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489
2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43224827
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one (CID 43160928) is 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one is CCc1ccc(C(=O)C(CC)CC)s1.
What is the InChIKey of 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one?
The InChIKey is VSCYRCNARUCKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-4-9(5-2)12(13)11-8-7-10(6-3)14-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one?
2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one has a molecular weight of 210.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-ethylthiophen-2-yl)butan-1-one is sourced from PubChem (CID 43160928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).