2-ethoxy-4-hexylthiophene

C12H20OS — CID 57098546

IUPAC2-ethoxy-4-hexylthiophene
SMILESCCCCCCc1csc(OCC)c1
InChIInChI=1S/C12H20OS/c1-3-5-6-7-8-11-9-12(13-4-2)14-10-11/h9-10H,3-8H2,1-2H3
InChIKeyLXAWGQLEUNFLFN-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.27
Rot. Bonds7

About 2-ethoxy-4-hexylthiophene

2-ethoxy-4-hexylthiophene (PubChem CID 57098546) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-ethoxy-4-hexylthiophene.

Molecular Properties

Compound Name2-ethoxy-4-hexylthiophene
PubChem CID57098546
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-ethoxy-4-hexylthiophene
SMILESCCCCCCc1csc(OCC)c1
InChIInChI=1S/C12H20OS/c1-3-5-6-7-8-11-9-12(13-4-2)14-10-11/h9-10H,3-8H2,1-2H3
InChIKeyLXAWGQLEUNFLFN-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-hexylthiophene?
The IUPAC name of 2-ethoxy-4-hexylthiophene (CID 57098546) is 2-ethoxy-4-hexylthiophene.
What is the SMILES notation for 2-ethoxy-4-hexylthiophene?
The canonical SMILES for 2-ethoxy-4-hexylthiophene is CCCCCCc1csc(OCC)c1.
What is the InChIKey of 2-ethoxy-4-hexylthiophene?
The InChIKey is LXAWGQLEUNFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-5-6-7-8-11-9-12(13-4-2)14-10-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-4-hexylthiophene?
2-ethoxy-4-hexylthiophene has a molecular weight of 212.36 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-hexylthiophene is sourced from PubChem (CID 57098546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).