6441164
 OpenBabel05082101102D

 31 33  0  0  1  0  0  0  0  0999 V2000
    2.6757    0.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406   -0.4459    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4133    0.1462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6721    1.1121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6986    0.4938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9355    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8122   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3834   -1.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -1.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3122   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8122   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4146   -0.9403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8748    0.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0415    1.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634    1.1128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2533    2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224    2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    0.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2660    1.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774   -1.8388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243   -1.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460   -1.1903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6039    0.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623   -0.4109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9322   -1.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2753   -1.7847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5022   -2.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3492   -2.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  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
 12 13  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
M  END
>  <PUBCHEM_COMPOUND_CID>
6441164

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
244

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAA0QAAAAAAAAEgAAAAAGgAAAAAADRSggAICAAAABACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQACAAAEgAAIAAOAwPAOgAAAAAAAAAAAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane

>  <PUBCHEM_IUPAC_CAS_NAME>
(9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(9<I>Z</I>)-9-ethylidene-3-oxatricyclo[6.2.1.0<SUP>2,7</SUP>]undecane

>  <PUBCHEM_IUPAC_NAME>
(9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H18O/c1-2-8-6-9-7-11(8)10-4-3-5-13-12(9)10/h2,9-12H,3-7H2,1H3/b8-2-

>  <PUBCHEM_IUPAC_INCHIKEY>
UBALJTRHSDXCPY-WAPJZHGLSA-N

>  <PUBCHEM_XLOGP3_AA>
2.1

>  <PUBCHEM_EXACT_MASS>
178.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
178.27

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC=C1CC2CC1C3C2OCCC3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C\1/CC2CC1C3C2OCCC3

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
178.135765

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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>
5  1  3
2  9  3
3  6  3
4  6  3

$$$$
