6450832
 OpenBabel05082101102D

 34 35  0  0  1  0  0  0  0  0999 V2000
    4.5878   -0.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388   -0.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    1.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -1.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    1.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508    1.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554    0.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678    1.0395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418   -1.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    1.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    1.0111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    0.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7410    1.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8675    1.9168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834   -1.6564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494   -1.5192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -0.6532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 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>
6450832

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
288

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADlSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgIBAIAIQACAAAEwAAIoAOAwPAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,6-trimethyl-10-methylene-1-oxaspiro[4.5]dec-8-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
2,6,6-trimethyl-10-methylene-1-oxaspiro[4.5]dec-8-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene

>  <PUBCHEM_IUPAC_NAME>
2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,6-trimethyl-10-methylene-1-oxaspiro[4.5]dec-8-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DUPDJVDPPBFBPL-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>
CC1CCC2(O1)C(=C)C=CCC2(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2(O1)C(=C)C=CCC2(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>
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  4  3
6  13  3

$$$$
