Mrv0541 03031416082D          

  6  6  0  0  0  0            999 V2000
    5.9405   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260   -2.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260   -3.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:46941

> <NAME>
oxane

> <DEFINITION>
A saturated organic heteromonocyclic parent that is cyclohexane in which one of the carbon atoms has been replaced by an oxygen atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45243

> <SYNONYM>
THP; Tetrahydropyran; Tetrahydro-2H-pyran; Pentamethylene oxide; Oxacyclohexane; 2H-tetrahydropyran

> <IUPAC_NAME>
oxane

> <FORMULA>
C5H10O

> <MASS>
86.13230

> <MONOISOTOPIC_MASS>
86.07316

> <CHARGE>
0

> <SMILES>
C1CCOCC1

> <INCHI>
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2

> <INCHIKEY>
DHXVGJBLRPWPCS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
102436

> <CAS_REGISTRY_NUMBER>
142-68-7

> <REAXYS_REGISTRY_NUMBER>
102436

> <CHEMIDPLUS>
142-68-7

> <NIST_CHEMISTRY_WEBBOOK>
142-68-7

> <PDBECHEM_ACCESSION>
PYE

> <WIKIPEDIA_ACCESSION>
Tetrahydropyran

> <PUBMED_CITATION>
24311470

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