3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene

C16H28O5S — CID 23522598

IUPAC3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene
SMILESCOCCOCCOCCOCCOc1c(C)sc(C)c1C
InChIInChI=1S/C16H28O5S/c1-13-14(2)22-15(3)16(13)21-12-11-20-10-9-19-8-7-18-6-5-17-4/h5-12H2,1-4H3
InChIKeyBETZTYLBQUCZFL-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.75
Rot. Bonds13

About 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene (PubChem CID 23522598) has the molecular formula C16H28O5S and a molecular weight of 332.46 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene.

Molecular Properties

Compound Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene
PubChem CID23522598
Molecular FormulaC16H28O5S
Molecular Weight332.46 g/mol
Exact Mass332.17
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene
SMILESCOCCOCCOCCOCCOc1c(C)sc(C)c1C
InChIInChI=1S/C16H28O5S/c1-13-14(2)22-15(3)16(13)21-12-11-20-10-9-19-8-7-18-6-5-17-4/h5-12H2,1-4H3
InChIKeyBETZTYLBQUCZFL-UHFFFAOYSA-N
XLogP2.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene?
The IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene (CID 23522598) is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene.
What is the SMILES notation for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene?
The canonical SMILES for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene is COCCOCCOCCOCCOc1c(C)sc(C)c1C.
What is the InChIKey of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene?
The InChIKey is BETZTYLBQUCZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5S/c1-13-14(2)22-15(3)16(13)21-12-11-20-10-9-19-8-7-18-6-5-17-4/h5-12H2,1-4H3.
What are the key properties of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene?
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene has a molecular weight of 332.46 g/mol, XLogP of 2.75, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,4,5-trimethylthiophene is sourced from PubChem (CID 23522598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).