1-(5-ethylthiophen-2-yl)-2-pentoxyethanone

C13H20O2S — CID 43801255

IUPAC1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
SMILESCCCCCOCC(=O)c1ccc(CC)s1
InChIInChI=1S/C13H20O2S/c1-3-5-6-9-15-10-12(14)13-8-7-11(4-2)16-13/h7-8H,3-6,9-10H2,1-2H3
InChIKeyJPMVLDQLFLMDCF-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.70
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone

1-(5-ethylthiophen-2-yl)-2-pentoxyethanone (PubChem CID 43801255) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
PubChem CID43801255
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
SMILESCCCCCOCC(=O)c1ccc(CC)s1
InChIInChI=1S/C13H20O2S/c1-3-5-6-9-15-10-12(14)13-8-7-11(4-2)16-13/h7-8H,3-6,9-10H2,1-2H3
InChIKeyJPMVLDQLFLMDCF-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide
CID 62051723
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
2-bromo-1-(5-dodecylthiophen-2-yl)ethanone
CID 102077651
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
butyl 5-(bromomethyl)thiophene-2-carboxylate
CID 90291128
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
CID 63558654

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone (CID 43801255) is 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone is CCCCCOCC(=O)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone?
The InChIKey is JPMVLDQLFLMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-3-5-6-9-15-10-12(14)13-8-7-11(4-2)16-13/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone?
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone has a molecular weight of 240.37 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-pentoxyethanone is sourced from PubChem (CID 43801255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).