44145813
 OpenBabel05082101102D

 34 36  0  0  1  0  0  0  0  0999 V2000
    3.7965   -1.8108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2062    0.7384    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1798    1.3566    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5483   -0.2013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9210    0.3907    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4432    2.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5787    0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3199   -0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2129    0.7011    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7633   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476   -2.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1010    1.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5492    1.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8638   -0.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    0.8047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    2.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    2.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1727    0.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7737    1.4364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -0.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139   -0.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    0.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0838    1.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133    1.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    1.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -1.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6199   -1.8129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212   -2.6669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752   -2.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
44145813

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
292

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMEAAAwAAAAAAAQAAAAAAAAGgAAAAAADQSAgAICAAAABACAAgBAAAAACAAgIAAACAAAAAgAAAIAAAAAAAAEgAAIAAOAwPAOgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methoxy-4,5-dimethyl-tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
3-methoxy-4,5-dimethyltricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-methoxy-4,5-dimethyltricyclo[5.2.1.0<SUP>2,6</SUP>]dec-3-ene

>  <PUBCHEM_IUPAC_NAME>
3-methoxy-4,5-dimethyltricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methoxy-4,5-dimethyl-tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methoxy-4,5-dimethyl-tricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H20O/c1-7-8(2)13(14-3)12-10-5-4-9(6-10)11(7)12/h7,9-12H,4-6H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
VOJLZMSJAQIWCN-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
192.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
192.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2C3CCC(C3)C2C(=C1C)OC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2C3CCC(C3)C2C(=C1C)OC

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
192.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

>  <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>
2  9  3
3  7  3
4  10  3
5  8  3
9  12  3

$$$$
