Mrv2104 06072104192D          

 15 15  0  0  0  0            999 V2000
   -0.4158    1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6704    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974    0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314   -0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983    0.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098    0.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    1.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4148    1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 11  2  2  0  0  0  0
  8  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
 11  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 15 14  1  0  0  0  0
 15  8  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <DATABASE_ID>
PHUB000130

> <DATABASE_NAME>
phytohub

> <SMILES>
C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

> <INCHI_KEY>
FAMPSKZZVDUYOS-HRGUGZIWSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <ALOGPS_LOGP>
6.07

> <ALOGPS_LOGS>
-4.28

> <ALOGPS_SOLUBILITY>
1.08e-02 g/l

$$$$