20268659
 OpenBabel05082101102D

 37 38  0  0  1  0  0  0  0  0999 V2000
    4.5878   -1.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000   -0.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388   -0.9330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5388    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962    0.9657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418   -1.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    0.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    2.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.6790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834   -2.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494   -1.8852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -1.0192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 22  1  0  0  0  0
  8 11  2  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 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
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
20268659

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
301

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADVSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgABAIAIQACEAAEgAAIIAOAwEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

>  <PUBCHEM_IUPAC_CAS_NAME>
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_NAME>
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]deca-3,9-diene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]deca-3,9-diene

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

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H22O/c1-10(2)13-6-5-11(3)9-14(13)8-7-12(4)15-14/h7-10,12-13H,5-6H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
QQLMXACDDRGTPU-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.3

>  <PUBCHEM_EXACT_MASS>
206.167065

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H22O

>  <PUBCHEM_MOLECULAR_WEIGHT>
206.32

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C=CC2(O1)C=C(CCC2C(C)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C=CC2(O1)C=C(CCC2C(C)C)C

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.167065

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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  15  3
2  5  3
3  8  3

$$$$
