2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone

C13H18O2S — CID 114967727

IUPAC2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2OCCC2C)s1
InChIInChI=1S/C13H18O2S/c1-3-10-4-5-11(16-10)8-12(14)13-9(2)6-7-15-13/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyXARSVZUFFWFIBI-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.85
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone (PubChem CID 114967727) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
PubChem CID114967727
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2OCCC2C)s1
InChIInChI=1S/C13H18O2S/c1-3-10-4-5-11(16-10)8-12(14)13-9(2)6-7-15-13/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyXARSVZUFFWFIBI-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone (CID 114967727) is 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone is CCc1ccc(CC(=O)C2OCCC2C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
The InChIKey is XARSVZUFFWFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-3-10-4-5-11(16-10)8-12(14)13-9(2)6-7-15-13/h4-5,9,13H,3,6-8H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone has a molecular weight of 238.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 114967727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).