3-[2-(2-methoxyethoxy)ethylperoxy]thiophene

C9H14O4S — CID 134907303

IUPAC3-[2-(2-methoxyethoxy)ethylperoxy]thiophene
SMILESCOCCOCCOOc1ccsc1
InChIInChI=1S/C9H14O4S/c1-10-3-4-11-5-6-12-13-9-2-7-14-8-9/h2,7-8H,3-6H2,1H3
InChIKeyJQCFRGMOUORYMO-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.72
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene

3-[2-(2-methoxyethoxy)ethylperoxy]thiophene (PubChem CID 134907303) has the molecular formula C9H14O4S and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylperoxy]thiophene
PubChem CID134907303
Molecular FormulaC9H14O4S
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name3-[2-(2-methoxyethoxy)ethylperoxy]thiophene
SMILESCOCCOCCOOc1ccsc1
InChIInChI=1S/C9H14O4S/c1-10-3-4-11-5-6-12-13-9-2-7-14-8-9/h2,7-8H,3-6H2,1H3
InChIKeyJQCFRGMOUORYMO-UHFFFAOYSA-N
XLogP1.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene (CID 134907303) is 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene is COCCOCCOOc1ccsc1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene?
The InChIKey is JQCFRGMOUORYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4S/c1-10-3-4-11-5-6-12-13-9-2-7-14-8-9/h2,7-8H,3-6H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene?
3-[2-(2-methoxyethoxy)ethylperoxy]thiophene has a molecular weight of 218.27 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylperoxy]thiophene is sourced from PubChem (CID 134907303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).