Marvin  05160613292D          

  5  4  0  0  0  0            999 V2000
   -1.4290   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <ID>
CHEBI:35702

> <NAME>
diethyl ether

> <DEFINITION>
An ether in which the oxygen atom is linked to two ethyl groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23991; CHEBI:31565

> <SYNONYM>
R-610; Pronarcol; ethyl oxide; ethyl ether; ethoxyethane; Ether; Diethylaether; diethyl oxide; Diethyl ether; Aether; Anesthetic ether; aether pro narcosi; aether; 3-oxapentane; 1,1'-oxybisethane

> <IUPAC_NAME>
1,1'-oxydiethane

> <FORMULA>
C4H10O

> <MASS>
74.12160

> <MONOISOTOPIC_MASS>
74.07316

> <CHARGE>
0

> <SMILES>
CCOCC

> <INCHI>
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3

> <INCHIKEY>
RTZKZFJDLAIYFH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1696894

> <CAS_REGISTRY_NUMBER>
60-29-7

> <GMELIN_REGISTRY_NUMBER>
25444

> <REAXYS_REGISTRY_NUMBER>
1696894

> <CHEMIDPLUS>
60-29-7

> <KEGG_COMPOUND_ACCESSION>
C13240

> <KEGG_DRUG_ACCESSION>
D01772

> <NIST_CHEMISTRY_WEBBOOK>
60-29-7

> <WIKIPEDIA_ACCESSION>
Diethyl_ether

> <PUBMED_CITATION>
24443836

$$$$