69721
 OpenBabel05082101102D

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.7320    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 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
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
69721

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
169

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAAAAAAAGgAAAAAADgSggAICCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAFAAAEAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

>  <PUBCHEM_IUPAC_CAS_NAME>
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

>  <PUBCHEM_IUPAC_NAME>
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
QIFSGRPJUXQGMD-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.6

>  <PUBCHEM_EXACT_MASS>
184.14633

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H20O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
184.27

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(COC2(CCCCC2)OC1)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(COC2(CCCCC2)OC1)C

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.14633

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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

$$$$
