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

C14H24O4S — CID 23522599

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene
SMILESCOCCOCCOCCOc1c(C)sc(C)c1C
InChIInChI=1S/C14H24O4S/c1-11-12(2)19-13(3)14(11)18-10-9-17-8-7-16-6-5-15-4/h5-10H2,1-4H3
InChIKeyPNTCXBFYAAETGT-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.73
Rot. Bonds10

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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene (PubChem CID 23522599) has the molecular formula C14H24O4S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene
PubChem CID23522599
Molecular FormulaC14H24O4S
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene
SMILESCOCCOCCOCCOc1c(C)sc(C)c1C
InChIInChI=1S/C14H24O4S/c1-11-12(2)19-13(3)14(11)18-10-9-17-8-7-16-6-5-15-4/h5-10H2,1-4H3
InChIKeyPNTCXBFYAAETGT-UHFFFAOYSA-N
XLogP2.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.73
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]-2,4,5-trimethylthiophene?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene (CID 23522599) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene is COCCOCCOCCOc1c(C)sc(C)c1C.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene?
The InChIKey is PNTCXBFYAAETGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S/c1-11-12(2)19-13(3)14(11)18-10-9-17-8-7-16-6-5-15-4/h5-10H2,1-4H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,4,5-trimethylthiophene has a molecular weight of 288.41 g/mol, XLogP of 2.73, 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]-2,4,5-trimethylthiophene is sourced from PubChem (CID 23522599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).