163418
 OpenBabel05082101102D

 35 36  0  0  1  0  0  0  0  0999 V2000
    3.6768    1.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -0.2260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0501   -1.1919    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5723    0.7566    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7078   -0.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490   -1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756   -0.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -2.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6587    1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677    0.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7912   -2.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    2.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018   -0.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9028   -0.1463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2541   -2.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430   -1.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    0.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613   -0.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   -2.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2457   -2.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252   -1.2662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -2.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0402    1.2066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    0.5618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1666    0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7282    1.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9688    0.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924   -1.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308   -2.7567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3901   -2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432    2.0033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708    2.2227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894    2.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    2.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 32  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 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 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
163418

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
205

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAABgAAAAAAAAAAGgAACAAADkSAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAQAADAAAQAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
8-ethyl-1,5-dimethyl-bicyclo[3.2.1]octan-8-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
8-ethyl-1,5-dimethyl-8-bicyclo[3.2.1]octanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol

>  <PUBCHEM_IUPAC_NAME>
8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-ethyl-1,5-dimethyl-bicyclo[3.2.1]octan-8-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-ethyl-1,5-dimethyl-bicyclo[3.2.1]octan-8-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H22O/c1-4-12(13)10(2)6-5-7-11(12,3)9-8-10/h13H,4-9H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
AKVDDUFUTRWZKY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
182.167065

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H22O

>  <PUBCHEM_MOLECULAR_WEIGHT>
182.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(C2(CCCC1(CC2)C)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1(C2(CCCC1(CC2)C)C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.167065

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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  11  3
3  12  3

$$$$
