2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one

C12H16OS — CID 81416048

IUPAC2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one
SMILESCCc1ccc(C2CC(=O)C2CC)s1
InChIInChI=1S/C12H16OS/c1-3-8-5-6-12(14-8)10-7-11(13)9(10)4-2/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyNOFXFYFGPXCLOX-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.39
Rot. Bonds3

About 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one

2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one (PubChem CID 81416048) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one
PubChem CID81416048
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one
SMILESCCc1ccc(C2CC(=O)C2CC)s1
InChIInChI=1S/C12H16OS/c1-3-8-5-6-12(14-8)10-7-11(13)9(10)4-2/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyNOFXFYFGPXCLOX-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one?
The IUPAC name of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one (CID 81416048) is 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one is CCc1ccc(C2CC(=O)C2CC)s1.
What is the InChIKey of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one?
The InChIKey is NOFXFYFGPXCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-3-8-5-6-12(14-8)10-7-11(13)9(10)4-2/h5-6,9-10H,3-4,7H2,1-2H3.
What are the key properties of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one?
2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one has a molecular weight of 208.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-one is sourced from PubChem (CID 81416048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).