
 Dihydrojasmone

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.5976    0.5682    0.1415 C   0  0  0  0  0
    2.0958    0.3112    0.1334 C   0  0  0  0  0
    2.8890    1.6149    0.0466 C   0  0  0  0  0
    4.3948    1.3458    0.0441 C   0  0  0  0  0
    5.1937    2.6458   -0.0652 C   0  0  0  0  0
    6.6593    2.3860   -0.0576 C   0  0  0  0  0
    7.5452    2.2441   -1.0537 C   0  0  0  0  0
    8.9565    2.0176   -0.5943 C   0  0  0  0  0
    8.8921    2.0412    0.9268 C   0  0  0  0  0
    7.4362    2.2766    1.1941 C   0  0  0  0  0
    6.9397    2.3684    2.3071 O   0  0  0  0  0
    7.2611    2.2718   -2.5180 C   0  0  0  0  0
    0.0517   -0.3781    0.2066 H   0  0  0  0  0
    0.2823    1.0801   -0.7733 H   0  0  0  0  0
    0.3101    1.1860    0.9982 H   0  0  0  0  0
    2.3451   -0.3331   -0.7178 H   0  0  0  0  0
    2.3723   -0.2329    1.0439 H   0  0  0  0  0
    2.6326    2.2597    0.8960 H   0  0  0  0  0
    2.6094    2.1553   -0.8659 H   0  0  0  0  0
    4.6457    0.6867   -0.7969 H   0  0  0  0  0
    4.6715    0.8125    0.9623 H   0  0  0  0  0
    4.9331    3.3182    0.7612 H   0  0  0  0  0
    4.9110    3.1766   -0.9821 H   0  0  0  0  0
    9.3349    1.0530   -0.9500 H   0  0  0  0  0
    9.6223    2.8034   -0.9668 H   0  0  0  0  0
    9.4879    2.8591    1.3415 H   0  0  0  0  0
    9.2041    1.0858    1.3578 H   0  0  0  0  0
    7.6538    1.3689   -2.9966 H   0  0  0  0  0
    7.7360    3.1430   -2.9794 H   0  0  0  0  0
    6.1895    2.3159   -2.7326 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
M  END

>  <Chemical Name>
Dihydrojasmone

>  <PubChem CID>
62378

>  <Formula>
C11H18O

>  <Molecular Weight>
166.264000

>  <IUPAC Name>
3-methyl-2-pentylcyclopent-2-en-1-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCC1=C(CCC1=O)C

>  <Isomeric SMILES>
CCCCCC1=C(CCC1=O)C

>  <InChI Std. ID>
InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3

>  <InChI Key>
YCIXWYOBMVNGTB-UHFFFAOYSA-N

