5281519
 OpenBabel05082101102D

 39 39  0  0  0  0  0  0  0  0999 V2000
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630   -0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524   -0.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3554   -1.4471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736   -0.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5281519

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
296

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1E,5E)-8-isopropylidene-1,5-dimethyl-cyclodeca-1,5-diene

>  <PUBCHEM_IUPAC_CAS_NAME>
(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>E</I>,5<I>E</I>)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene

>  <PUBCHEM_IUPAC_NAME>
(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1E,5E)-1,5-dimethyl-8-propan-2-ylidene-cyclodeca-1,5-diene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1E,5E)-8-isopropylidene-1,5-dimethyl-cyclodeca-1,5-diene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+

>  <PUBCHEM_IUPAC_INCHIKEY>
GXEGJTGWYVZSNR-SJRHNVSNSA-N

>  <PUBCHEM_XLOGP3_AA>
4.1

>  <PUBCHEM_EXACT_MASS>
204.187801

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24

>  <PUBCHEM_MOLECULAR_WEIGHT>
204.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC(=CCC(=C(C)C)CC1)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
