3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene

C13H22O4S — CID 20789367

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene
SMILESCOCCOCCOCCOc1cc(C)sc1C
InChIInChI=1S/C13H22O4S/c1-11-10-13(12(2)18-11)17-9-8-16-7-6-15-5-4-14-3/h10H,4-9H2,1-3H3
InChIKeyWJQKDTGADMUMOP-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.42
Rot. Bonds10

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene (PubChem CID 20789367) has the molecular formula C13H22O4S and a molecular weight of 274.38 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene
PubChem CID20789367
Molecular FormulaC13H22O4S
Molecular Weight274.38 g/mol
Exact Mass274.12
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene
SMILESCOCCOCCOCCOc1cc(C)sc1C
InChIInChI=1S/C13H22O4S/c1-11-10-13(12(2)18-11)17-9-8-16-7-6-15-5-4-14-3/h10H,4-9H2,1-3H3
InChIKeyWJQKDTGADMUMOP-UHFFFAOYSA-N
XLogP2.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene (CID 20789367) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene is COCCOCCOCCOc1cc(C)sc1C.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene?
The InChIKey is WJQKDTGADMUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4S/c1-11-10-13(12(2)18-11)17-9-8-16-7-6-15-5-4-14-3/h10H,4-9H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene has a molecular weight of 274.38 g/mol, XLogP of 2.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5-dimethylthiophene is sourced from PubChem (CID 20789367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).