92659
 OpenBabel05082101102D

 33 34  0  0  1  0  0  0  0  0999 V2000
    4.7320    0.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0485    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7320   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.1562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -1.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -0.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -1.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -2.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -1.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -1.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -2.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    2.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    2.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -2.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -2.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    0.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    1.6311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    2.4515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  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 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  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
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
92659

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
185

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAAAAAAAAGgAACAAADESggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACQAAFAAAAAAGAwPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-1-oxaspiro[5.5]undecan-4-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-1-oxaspiro[5.5]undecan-4-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-methyl-1-oxaspiro[5.5]undecan-4-ol

>  <PUBCHEM_IUPAC_NAME>
4-methyl-1-oxaspiro[5.5]undecan-4-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-1-oxaspiro[5.5]undecan-4-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methyl-1-oxaspiro[5.5]undecan-4-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O2/c1-10(12)7-8-13-11(9-10)5-3-2-4-6-11/h12H,2-9H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WTYRGXLTFZYIIM-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.8

>  <PUBCHEM_EXACT_MASS>
184.14633

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H20O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
184.27

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCOC2(C1)CCCCC2)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCOC2(C1)CCCCC2)O

>  <PUBCHEM_CACTVS_TPSA>
29.5

>  <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>
1

>  <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>
7  2  3

$$$$
