102779
 OpenBabel05082101102D

 32 34  0  0  1  0  0  0  0  0999 V2000
    6.8802   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401    1.1121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9813    0.1462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2666    0.4938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6086   -0.4459    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5035    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -0.3627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6390    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3802   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6095    1.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    0.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613    1.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -0.9796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213    2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   -0.8376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330    0.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340    1.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    1.0751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    0.5633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4628   -1.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7726   -0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0702   -2.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6902   -2.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6902   -1.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  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  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  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
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
102779

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
268

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMEAAAwAAAAAAAQAAAAAAAAGgAAAAAADRSggAIAAAAABACAACBCAAAAAAAgAAAICAAAAAgABAIAIQACAAAEgAAIIAOAwPAOgAAAAAAAAABAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
9-allyloxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
9-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
9-prop-2-enoxytricyclo[5.2.1.0<SUP>2,6</SUP>]dec-3-ene

>  <PUBCHEM_IUPAC_NAME>
9-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-allyloxytricyclo[5.2.1.02,6]dec-3-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H18O/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h2-3,5,9-13H,1,4,6-8H2

>  <PUBCHEM_IUPAC_INCHIKEY>
QFRXRJATKANZGZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
190.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
190.28

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCOC1CC2CC1C3C2CC=C3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCOC1CC2CC1C3C2CC=C3

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
190.135765

>  <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>
7  1  3
2  6  3
3  6  3
4  9  3
5  10  3

$$$$
