6-ethyloctan-3-yl 2-thiophen-2-ylacetate

C16H26O2S — CID 566215

IUPAC6-ethyloctan-3-yl 2-thiophen-2-ylacetate
SMILESCCC(CC)CCC(CC)OC(=O)Cc1cccs1
InChIInChI=1S/C16H26O2S/c1-4-13(5-2)9-10-14(6-3)18-16(17)12-15-8-7-11-19-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyLMKZLFXOKVHCCP-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.83
Rot. Bonds9

About 6-ethyloctan-3-yl 2-thiophen-2-ylacetate

6-ethyloctan-3-yl 2-thiophen-2-ylacetate (PubChem CID 566215) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is 6-ethyloctan-3-yl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name6-ethyloctan-3-yl 2-thiophen-2-ylacetate
PubChem CID566215
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Name6-ethyloctan-3-yl 2-thiophen-2-ylacetate
SMILESCCC(CC)CCC(CC)OC(=O)Cc1cccs1
InChIInChI=1S/C16H26O2S/c1-4-13(5-2)9-10-14(6-3)18-16(17)12-15-8-7-11-19-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyLMKZLFXOKVHCCP-UHFFFAOYSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonylethyl 2-thiophen-2-ylacetate
CID 142757296
ethyl 2-(thionin-2-yl)acetate
CID 174897632
N-(2-ethylhexyl)-2-thiophen-2-ylacetamide
CID 2916095
[(2S)-1-oxo-1-(4-phenylphenyl)hexan-2-yl] 2-thiophen-2-ylacetate
CID 7122425
(2-hydroxyphenyl) 2-thiophen-2-ylacetate
CID 91700994
decyl 2-thiophen-2-ylacetate
CID 566129
3-methoxy-1-thiophen-2-ylhexan-2-one
CID 116708019
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate
CID 7799353
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986

Frequently Asked Questions

What is the IUPAC name of 6-ethyloctan-3-yl 2-thiophen-2-ylacetate?
The IUPAC name of 6-ethyloctan-3-yl 2-thiophen-2-ylacetate (CID 566215) is 6-ethyloctan-3-yl 2-thiophen-2-ylacetate.
What is the SMILES notation for 6-ethyloctan-3-yl 2-thiophen-2-ylacetate?
The canonical SMILES for 6-ethyloctan-3-yl 2-thiophen-2-ylacetate is CCC(CC)CCC(CC)OC(=O)Cc1cccs1.
What is the InChIKey of 6-ethyloctan-3-yl 2-thiophen-2-ylacetate?
The InChIKey is LMKZLFXOKVHCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2S/c1-4-13(5-2)9-10-14(6-3)18-16(17)12-15-8-7-11-19-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3.
What are the key properties of 6-ethyloctan-3-yl 2-thiophen-2-ylacetate?
6-ethyloctan-3-yl 2-thiophen-2-ylacetate has a molecular weight of 282.45 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyloctan-3-yl 2-thiophen-2-ylacetate is sourced from PubChem (CID 566215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).