Ketcher 02182114412D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
M  END
> <ID>
CHEBI:165737

> <NAME>
3-ethylpentane

> <DEFINITION>
An alkane that is pentane substituted by an ethyl group at position 3.

> <STAR>
3

> <SYNONYM>
triethylmethane; 3-etilpentano; 3-ethylpentane; 3-Ethylpentan; 3-ethyl-pentane

> <IUPAC_NAME>
3-ethylpentane

> <FORMULA>
C7H16

> <MASS>
100.205

> <MONOISOTOPIC_MASS>
100.12520

> <CHARGE>
0

> <SMILES>
CCC(CC)CC

> <INCHI>
InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3

> <INCHIKEY>
AORMDLNPRGXHHL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
617-78-7

> <REAXYS_REGISTRY_NUMBER>
1730760

> <CHEMIDPLUS>
617-78-7

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA11000702

> <NIST_CHEMISTRY_WEBBOOK>
617-78-7

> <WIKIPEDIA_ACCESSION>
3-Ethylpentane

> <PUBMED_CITATION>
11357397; 21961893; 21976369; 28071058; 32126087

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