116740
 OpenBabel05082101102D

 34 35  0  0  1  0  0  0  0  0999 V2000
    4.5878   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    0.8660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962    1.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418   -1.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    0.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369   -1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834   -1.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494   -1.4522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -0.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 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>
116740

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
290

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADVSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgABAIAIQACEAAEgAAIIAOAgAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

>  <PUBCHEM_IUPAC_CAS_NAME>
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

>  <PUBCHEM_IUPAC_NAME>
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WYTVJTNOJJKEEQ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.9

>  <PUBCHEM_EXACT_MASS>
192.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
192.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC=C(C2(C1C)C=CC(O2)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC=C(C2(C1C)C=CC(O2)C)C

>  <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>
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>
10  14  3
2  7  3
3  8  3
4  11  3

$$$$
