cyclohexyl 2-thiophen-2-ylacetate

C12H16O2S — CID 558138

IUPACcyclohexyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OC1CCCCC1
InChIInChI=1S/C12H16O2S/c13-12(9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyNDWNUXBDRYINQJ-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.17
Rot. Bonds3

About cyclohexyl 2-thiophen-2-ylacetate

cyclohexyl 2-thiophen-2-ylacetate (PubChem CID 558138) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is cyclohexyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Namecyclohexyl 2-thiophen-2-ylacetate
PubChem CID558138
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Namecyclohexyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OC1CCCCC1
InChIInChI=1S/C12H16O2S/c13-12(9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyNDWNUXBDRYINQJ-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-thiophen-2-ylacetate?
The IUPAC name of cyclohexyl 2-thiophen-2-ylacetate (CID 558138) is cyclohexyl 2-thiophen-2-ylacetate.
What is the SMILES notation for cyclohexyl 2-thiophen-2-ylacetate?
The canonical SMILES for cyclohexyl 2-thiophen-2-ylacetate is O=C(Cc1cccs1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-thiophen-2-ylacetate?
The InChIKey is NDWNUXBDRYINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c13-12(9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of cyclohexyl 2-thiophen-2-ylacetate?
cyclohexyl 2-thiophen-2-ylacetate has a molecular weight of 224.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 558138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).