Ketcher 02232115262D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
    9.7433   -6.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2692   -6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6092   -6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4033   -6.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4752   -6.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5372   -6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3413   -6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6712   -6.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2071   -6.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8052   -6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0733   -6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9393   -6.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  2  0     0  0
  6  4  1  0     0  0
  7  5  1  0     0  0
  8  6  1  0     0  0
  9  7  1  0     0  0
 10  8  1  0     0  0
 11  9  1  0     0  0
 12 10  1  0     0  0
 12 11  1  0     0  0
M  END
> <ID>
CHEBI:88609

> <NAME>
(E)-2-dodecene

> <DEFINITION>
A 2-dodecene that is dodecane which has been dehydrogenated to introduce a trans double bond between positions 2 and 3.

> <STAR>
3

> <SYNONYM>
trans-dodec-2-ene; trans-2-dodecene; (E)-dodec-2-ene; (E)-2-dodecene; (2E)-2-dodecene

> <IUPAC_NAME>
(2E)-dodec-2-ene

> <FORMULA>
C12H24

> <MASS>
168.324

> <MONOISOTOPIC_MASS>
168.18780

> <CHARGE>
0

> <SMILES>
CCCCCCCCC\C=C\C

> <INCHI>
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+

> <INCHIKEY>
ADOQBZAVKYCFOI-HWKANZROSA-N

> <CAS_REGISTRY_NUMBER>
7206-13-5

> <CHEMIDPLUS>
7206-13-5

> <NIST_CHEMISTRY_WEBBOOK>
7206-13-5

> <PUBMED_CITATION>
24421258; 30417155; 30585205

$$$$