2-ethoxy-5-ethylthiophene

C8H12OS — CID 119089845

IUPAC2-ethoxy-5-ethylthiophene
SMILESCCOc1ccc(CC)s1
InChIInChI=1S/C8H12OS/c1-3-7-5-6-8(10-7)9-4-2/h5-6H,3-4H2,1-2H3
InChIKeyDMNVUGCQVJDFKB-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.71
Rot. Bonds3

About 2-ethoxy-5-ethylthiophene

2-ethoxy-5-ethylthiophene (PubChem CID 119089845) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-ethoxy-5-ethylthiophene.

Molecular Properties

Compound Name2-ethoxy-5-ethylthiophene
PubChem CID119089845
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-ethoxy-5-ethylthiophene
SMILESCCOc1ccc(CC)s1
InChIInChI=1S/C8H12OS/c1-3-7-5-6-8(10-7)9-4-2/h5-6H,3-4H2,1-2H3
InChIKeyDMNVUGCQVJDFKB-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-ethylthiophene?
The IUPAC name of 2-ethoxy-5-ethylthiophene (CID 119089845) is 2-ethoxy-5-ethylthiophene.
What is the SMILES notation for 2-ethoxy-5-ethylthiophene?
The canonical SMILES for 2-ethoxy-5-ethylthiophene is CCOc1ccc(CC)s1.
What is the InChIKey of 2-ethoxy-5-ethylthiophene?
The InChIKey is DMNVUGCQVJDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-3-7-5-6-8(10-7)9-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-5-ethylthiophene?
2-ethoxy-5-ethylthiophene has a molecular weight of 156.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-ethylthiophene is sourced from PubChem (CID 119089845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).