3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene

C15H26O4S — CID 86052178

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene
SMILESCCCCOCCOCCOCCOc1cscc1C
InChIInChI=1S/C15H26O4S/c1-3-4-5-16-6-7-17-8-9-18-10-11-19-15-13-20-12-14(15)2/h12-13H,3-11H2,1-2H3
InChIKeyIJPKXWRNAQDCAI-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.29
Rot. Bonds13

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene

3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene (PubChem CID 86052178) has the molecular formula C15H26O4S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene
PubChem CID86052178
Molecular FormulaC15H26O4S
Molecular Weight302.44 g/mol
Exact Mass302.16
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene
SMILESCCCCOCCOCCOCCOc1cscc1C
InChIInChI=1S/C15H26O4S/c1-3-4-5-16-6-7-17-8-9-18-10-11-19-15-13-20-12-14(15)2/h12-13H,3-11H2,1-2H3
InChIKeyIJPKXWRNAQDCAI-UHFFFAOYSA-N
XLogP3.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.29
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-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene (CID 86052178) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene is CCCCOCCOCCOCCOc1cscc1C.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene?
The InChIKey is IJPKXWRNAQDCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4S/c1-3-4-5-16-6-7-17-8-9-18-10-11-19-15-13-20-12-14(15)2/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene has a molecular weight of 302.44 g/mol, XLogP of 3.29, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylthiophene is sourced from PubChem (CID 86052178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).