136144
  -OEChem-05042415022D

 33 33  0     0  0  0  0  0  0999 V2000
    3.7567   -1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7972   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7162   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    1.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979    1.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2567    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970   -2.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7567   -1.1188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -1.6875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1324   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867   -2.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3810   -0.9355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5335   -0.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7063   -0.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6810   -1.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070   -0.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513    0.7164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137    0.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0644    0.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    0.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692    1.8007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    0.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151    1.2571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294    0.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4594    2.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4313    1.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440    2.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0820    1.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136144

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
38.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cycloundecane

> <PUBCHEM_IUPAC_CAS_NAME>
cycloundecane

> <PUBCHEM_IUPAC_NAME_MARKUP>
cycloundecane

> <PUBCHEM_IUPAC_NAME>
cycloundecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cycloundecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cycloundecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H22/c1-2-4-6-8-10-11-9-7-5-3-1/h1-11H2

> <PUBCHEM_IUPAC_INCHIKEY>
KYTNZWVKKKJXFS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.2

> <PUBCHEM_EXACT_MASS>
154.172150702

> <PUBCHEM_MOLECULAR_FORMULA>
C11H22

> <PUBCHEM_MOLECULAR_WEIGHT>
154.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCCCCCCCCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCCCCCCCCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.172150702

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$