2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene

C16H28O6S — CID 157485906

IUPAC2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene
SMILESCCOCCOCCOc1ccc(OCCOCCOCC)s1
InChIInChI=1S/C16H28O6S/c1-3-17-7-9-19-11-13-21-15-5-6-16(23-15)22-14-12-20-10-8-18-4-2/h5-6H,3-4,7-14H2,1-2H3
InChIKeyBWSBXGPKRHYYNH-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.61
Rot. Bonds16

About 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene

2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene (PubChem CID 157485906) has the molecular formula C16H28O6S and a molecular weight of 348.46 g/mol. Its IUPAC name is 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene.

Molecular Properties

Compound Name2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene
PubChem CID157485906
Molecular FormulaC16H28O6S
Molecular Weight348.46 g/mol
Exact Mass348.16
IUPAC Name2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene
SMILESCCOCCOCCOc1ccc(OCCOCCOCC)s1
InChIInChI=1S/C16H28O6S/c1-3-17-7-9-19-11-13-21-15-5-6-16(23-15)22-14-12-20-10-8-18-4-2/h5-6H,3-4,7-14H2,1-2H3
InChIKeyBWSBXGPKRHYYNH-UHFFFAOYSA-N
XLogP2.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene?
The IUPAC name of 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene (CID 157485906) is 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene.
What is the SMILES notation for 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene?
The canonical SMILES for 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene is CCOCCOCCOc1ccc(OCCOCCOCC)s1.
What is the InChIKey of 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene?
The InChIKey is BWSBXGPKRHYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6S/c1-3-17-7-9-19-11-13-21-15-5-6-16(23-15)22-14-12-20-10-8-18-4-2/h5-6H,3-4,7-14H2,1-2H3.
What are the key properties of 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene?
2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene has a molecular weight of 348.46 g/mol, XLogP of 2.61, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(2-ethoxyethoxy)ethoxy]thiophene is sourced from PubChem (CID 157485906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).