289151
 OpenBabel05082101102D

 39 41  0  0  1  0  0  0  0  0999 V2000
    3.1621    0.0729    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9985   -0.3299    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8348    0.0729    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1514   -0.7888    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9556    0.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195   -1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0414    0.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5344    1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4626    1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8297   -0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1294    1.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8471   -0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    0.0073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859   -0.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5478   -0.9303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593   -1.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0477   -1.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639   -1.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8874   -2.2626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4279    1.4626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    1.9726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0212    1.9726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246    2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7669   -0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4465   -0.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8924    0.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4787    2.0535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172    1.8905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173    1.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075    0.5005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827    0.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0945   -1.4702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157   -0.4032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  2  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 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>
289151

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
312

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAABgAYAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3,7-trimethyl-8-methylene-tricyclo[5.4.0.02,9]undecane

>  <PUBCHEM_IUPAC_CAS_NAME>
3,3,7-trimethyl-8-methylenetricyclo[5.4.0.02,9]undecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0<SUP>2,9</SUP>]undecane

>  <PUBCHEM_IUPAC_NAME>
3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3,7-trimethyl-8-methylidene-tricyclo[5.4.0.02,9]undecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3,7-trimethyl-8-methylene-tricyclo[5.4.0.02,9]undecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
PDSNLYSELAIEBU-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.1

>  <PUBCHEM_EXACT_MASS>
204.187801

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24

>  <PUBCHEM_MOLECULAR_WEIGHT>
204.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C3C1C(C2=C)CC3)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCC2(C3C1C(C2=C)CC3)C)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>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
1  5  3
2  6  3
3  12  3
4  8  3

$$$$
