162061
 OpenBabel05082101102D

 44 44  0  0  0  0  0  0  0  0999 V2000
    6.0981    0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7646    1.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675    1.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   -1.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   -0.6686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -0.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    0.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145   -2.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855   -1.8908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    0.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -1.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384   -2.8044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -3.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -3.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -3.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -3.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860    2.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    1.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5841    3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    3.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3441    3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  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 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
162061

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
136

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAgAAAEAAAEAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
methoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_CAS_NAME>
methoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
methoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_NAME>
methoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H28O2/c1-15-13-16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HPTIDIPGIUCQFC-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.1

>  <PUBCHEM_EXACT_MASS>
228.20893

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H28O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
228.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
COCOC1CCCCCCCCCCC1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
COCOC1CCCCCCCCCCC1

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.20893

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <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

$$$$
