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- ChemComp-PG5: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE -

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Basic information

EntryDatabase: PDB chemical components / ID: PG5
NameName: 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane

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Chemical information

Composition
Formula: C8H18O4 / Number of atoms: 30 / Formula weight: 178.226 / Formal charge: 0
Others

1d1j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PG5 / Model coordinates PDB-ID: 1D1J
History
Create componentSep 21, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O(C)CCOCCOCCOC
CACTVS 3.341COCCOCCOCCOC
OpenEye OEToolkits 1.5.0COCCOCCOCCOC

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SMILES CANONICAL

CACTVS 3.341COCCOCCOCCOC
OpenEye OEToolkits 1.5.0COCCOCCOCCOC

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InChI

InChI 1.03InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3

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InChIKey

InChI 1.03YFNKIDBQEZZDLK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,5,8,11-tetraoxadodecane
OpenEye OEToolkits 1.5.01-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

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PDB entries

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