135215
  -OEChem-10131505022D

 41 42  0     1  0  0  0  0  0999 V2000
    7.1569    2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3506    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5388    0.8506    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5878    1.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5388   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479    1.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9356    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    2.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962    0.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    1.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508    1.4696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508   -0.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400   -1.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    1.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678   -0.7558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554   -0.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    1.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    1.4287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    1.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    2.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4340    0.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3001    0.1278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4372    0.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2617    2.6119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3956    2.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2585    1.8830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -1.3814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 41  1  0  0  0  0
  2 17  2  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 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 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
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
135215

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAYAAAAAgAAAAAAAAAAAAAAAAGgAACAAAD0SggAICAAAAAgCIAihSgAAAAAAgAAAACAEAAEgAABIAAQAAQAAEgAAIAYOIyPCPgAAAAAAAAAAAAAAAAAAAAQAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1-hydroxy-1-methyl-ethyl)-6-methyl-spiro[4.5]dec-9-ene-10-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-hydroxypropan-2-yl)-6-methyl-10-spiro[4.5]dec-9-enecarboxaldehyde

> <PUBCHEM_IUPAC_NAME>
3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-3-(2-oxidanylpropan-2-yl)spiro[4.5]dec-9-ene-10-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1-hydroxy-1-methyl-ethyl)-6-methyl-spiro[4.5]dec-9-ene-10-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O2/c1-11-5-4-6-13(10-16)15(11)8-7-12(9-15)14(2,3)17/h6,10-12,17H,4-5,7-9H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
OKBGEROEGQDLFK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
236.17763

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O2

> <PUBCHEM_MOLECULAR_WEIGHT>
236.34986

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.17763

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
3  5  3
4  18  3
7  23  3

$$$$
