2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene

C12H22O4S — CID 69235067

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene
SMILESCOCCOCCOCCOCC1CC=CS1
InChIInChI=1S/C12H22O4S/c1-13-4-5-14-6-7-15-8-9-16-11-12-3-2-10-17-12/h2,10,12H,3-9,11H2,1H3
InChIKeyZQHDCZKOEJBCFU-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.70
Rot. Bonds11

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene (PubChem CID 69235067) has the molecular formula C12H22O4S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene
PubChem CID69235067
Molecular FormulaC12H22O4S
Molecular Weight262.37 g/mol
Exact Mass262.12
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene
SMILESCOCCOCCOCCOCC1CC=CS1
InChIInChI=1S/C12H22O4S/c1-13-4-5-14-6-7-15-8-9-16-11-12-3-2-10-17-12/h2,10,12H,3-9,11H2,1H3
InChIKeyZQHDCZKOEJBCFU-UHFFFAOYSA-N
XLogP1.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.70
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 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene (CID 69235067) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene is COCCOCCOCCOCC1CC=CS1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene?
The InChIKey is ZQHDCZKOEJBCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4S/c1-13-4-5-14-6-7-15-8-9-16-11-12-3-2-10-17-12/h2,10,12H,3-9,11H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene has a molecular weight of 262.37 g/mol, XLogP of 1.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,3-dihydrothiophene is sourced from PubChem (CID 69235067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).