2-(2-ethoxyethyl)thiophene

C8H12OS — CID 16743897

IUPAC2-(2-ethoxyethyl)thiophene
SMILESCCOCCc1cccs1
InChIInChI=1S/C8H12OS/c1-2-9-6-5-8-4-3-7-10-8/h3-4,7H,2,5-6H2,1H3
InChIKeyACQKBWRMZFJKMZ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-ethoxyethyl)thiophene

2-(2-ethoxyethyl)thiophene (PubChem CID 16743897) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)thiophene.

Molecular Properties

Compound Name2-(2-ethoxyethyl)thiophene
PubChem CID16743897
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-(2-ethoxyethyl)thiophene
SMILESCCOCCc1cccs1
InChIInChI=1S/C8H12OS/c1-2-9-6-5-8-4-3-7-10-8/h3-4,7H,2,5-6H2,1H3
InChIKeyACQKBWRMZFJKMZ-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.33
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-(2-ethoxyethyl)thiophene?
The IUPAC name of 2-(2-ethoxyethyl)thiophene (CID 16743897) is 2-(2-ethoxyethyl)thiophene.
What is the SMILES notation for 2-(2-ethoxyethyl)thiophene?
The canonical SMILES for 2-(2-ethoxyethyl)thiophene is CCOCCc1cccs1.
What is the InChIKey of 2-(2-ethoxyethyl)thiophene?
The InChIKey is ACQKBWRMZFJKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-9-6-5-8-4-3-7-10-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)thiophene?
2-(2-ethoxyethyl)thiophene has a molecular weight of 156.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)thiophene is sourced from PubChem (CID 16743897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).