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

C12H18OS — CID 83929357

IUPAC5-(5-ethylthiophen-2-yl)hexan-2-one
SMILESCCc1ccc(C(C)CCC(C)=O)s1
InChIInChI=1S/C12H18OS/c1-4-11-7-8-12(14-11)9(2)5-6-10(3)13/h7-9H,4-6H2,1-3H3
InChIKeyOEDYTNLEPQCAJH-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.78
Rot. Bonds5

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

5-(5-ethylthiophen-2-yl)hexan-2-one (PubChem CID 83929357) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)hexan-2-one.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)hexan-2-one
PubChem CID83929357
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name5-(5-ethylthiophen-2-yl)hexan-2-one
SMILESCCc1ccc(C(C)CCC(C)=O)s1
InChIInChI=1S/C12H18OS/c1-4-11-7-8-12(14-11)9(2)5-6-10(3)13/h7-9H,4-6H2,1-3H3
InChIKeyOEDYTNLEPQCAJH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)hexan-2-one?
The IUPAC name of 5-(5-ethylthiophen-2-yl)hexan-2-one (CID 83929357) is 5-(5-ethylthiophen-2-yl)hexan-2-one.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)hexan-2-one?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)hexan-2-one is CCc1ccc(C(C)CCC(C)=O)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)hexan-2-one?
The InChIKey is OEDYTNLEPQCAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-4-11-7-8-12(14-11)9(2)5-6-10(3)13/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-(5-ethylthiophen-2-yl)hexan-2-one?
5-(5-ethylthiophen-2-yl)hexan-2-one has a molecular weight of 210.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)hexan-2-one is sourced from PubChem (CID 83929357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).