(2-ethylcyclohexyl) thiophene-2-carboxylate

C13H18O2S — CID 574067

IUPAC(2-ethylcyclohexyl) thiophene-2-carboxylate
SMILESCCC1CCCCC1OC(=O)c1cccs1
InChIInChI=1S/C13H18O2S/c1-2-10-6-3-4-7-11(10)15-13(14)12-8-5-9-16-12/h5,8-11H,2-4,6-7H2,1H3
InChIKeyPCBZMDVWUIWSOM-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.87
Rot. Bonds3

About (2-ethylcyclohexyl) thiophene-2-carboxylate

(2-ethylcyclohexyl) thiophene-2-carboxylate (PubChem CID 574067) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (2-ethylcyclohexyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) thiophene-2-carboxylate
PubChem CID574067
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(2-ethylcyclohexyl) thiophene-2-carboxylate
SMILESCCC1CCCCC1OC(=O)c1cccs1
InChIInChI=1S/C13H18O2S/c1-2-10-6-3-4-7-11(10)15-13(14)12-8-5-9-16-12/h5,8-11H,2-4,6-7H2,1H3
InChIKeyPCBZMDVWUIWSOM-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) thiophene-2-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) thiophene-2-carboxylate (CID 574067) is (2-ethylcyclohexyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) thiophene-2-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) thiophene-2-carboxylate is CCC1CCCCC1OC(=O)c1cccs1.
What is the InChIKey of (2-ethylcyclohexyl) thiophene-2-carboxylate?
The InChIKey is PCBZMDVWUIWSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-2-10-6-3-4-7-11(10)15-13(14)12-8-5-9-16-12/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of (2-ethylcyclohexyl) thiophene-2-carboxylate?
(2-ethylcyclohexyl) thiophene-2-carboxylate has a molecular weight of 238.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) thiophene-2-carboxylate is sourced from PubChem (CID 574067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).