3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene

C14H24O6S — CID 91260199

IUPAC3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene
SMILESCOCCOCCOc1cscc1OCCOCCOC
InChIInChI=1S/C14H24O6S/c1-15-3-5-17-7-9-19-13-11-21-12-14(13)20-10-8-18-6-4-16-2/h11-12H,3-10H2,1-2H3
InChIKeyRDLNFVAOYHPCCD-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.83
Rot. Bonds14

About 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene

3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene (PubChem CID 91260199) has the molecular formula C14H24O6S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene.

Molecular Properties

Compound Name3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene
PubChem CID91260199
Molecular FormulaC14H24O6S
Molecular Weight320.41 g/mol
Exact Mass320.13
IUPAC Name3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene
SMILESCOCCOCCOc1cscc1OCCOCCOC
InChIInChI=1S/C14H24O6S/c1-15-3-5-17-7-9-19-13-11-21-12-14(13)20-10-8-18-6-4-16-2/h11-12H,3-10H2,1-2H3
InChIKeyRDLNFVAOYHPCCD-UHFFFAOYSA-N
XLogP1.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.83
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 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene?
The IUPAC name of 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene (CID 91260199) is 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene.
What is the SMILES notation for 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene?
The canonical SMILES for 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene is COCCOCCOc1cscc1OCCOCCOC.
What is the InChIKey of 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene?
The InChIKey is RDLNFVAOYHPCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6S/c1-15-3-5-17-7-9-19-13-11-21-12-14(13)20-10-8-18-6-4-16-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene?
3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene has a molecular weight of 320.41 g/mol, XLogP of 1.83, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-(2-methoxyethoxy)ethoxy]thiophene is sourced from PubChem (CID 91260199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).