6-ethyloctan-3-yl thiophene-2-carboxylate

C15H24O2S — CID 573999

IUPAC6-ethyloctan-3-yl thiophene-2-carboxylate
SMILESCCC(CC)CCC(CC)OC(=O)c1cccs1
InChIInChI=1S/C15H24O2S/c1-4-12(5-2)9-10-13(6-3)17-15(16)14-8-7-11-18-14/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyVKIQCLBSVCRXHA-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.90
Rot. Bonds8

About 6-ethyloctan-3-yl thiophene-2-carboxylate

6-ethyloctan-3-yl thiophene-2-carboxylate (PubChem CID 573999) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 6-ethyloctan-3-yl thiophene-2-carboxylate.

Molecular Properties

Compound Name6-ethyloctan-3-yl thiophene-2-carboxylate
PubChem CID573999
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name6-ethyloctan-3-yl thiophene-2-carboxylate
SMILESCCC(CC)CCC(CC)OC(=O)c1cccs1
InChIInChI=1S/C15H24O2S/c1-4-12(5-2)9-10-13(6-3)17-15(16)14-8-7-11-18-14/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyVKIQCLBSVCRXHA-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyloctan-3-yl thiophene-2-carboxylate?
The IUPAC name of 6-ethyloctan-3-yl thiophene-2-carboxylate (CID 573999) is 6-ethyloctan-3-yl thiophene-2-carboxylate.
What is the SMILES notation for 6-ethyloctan-3-yl thiophene-2-carboxylate?
The canonical SMILES for 6-ethyloctan-3-yl thiophene-2-carboxylate is CCC(CC)CCC(CC)OC(=O)c1cccs1.
What is the InChIKey of 6-ethyloctan-3-yl thiophene-2-carboxylate?
The InChIKey is VKIQCLBSVCRXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-4-12(5-2)9-10-13(6-3)17-15(16)14-8-7-11-18-14/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 6-ethyloctan-3-yl thiophene-2-carboxylate?
6-ethyloctan-3-yl thiophene-2-carboxylate has a molecular weight of 268.42 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyloctan-3-yl thiophene-2-carboxylate is sourced from PubChem (CID 573999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).