94111
 OpenBabel05082101102D

 47 47  0  0  0  0  0  0  0  0999 V2000
    6.0981    0.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    1.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7646    0.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675    0.9570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   -1.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   -0.9186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -0.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    0.5809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145   -2.7180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855   -2.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    0.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -2.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384   -3.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -3.6941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -2.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -3.6941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.2175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -3.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860    2.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    1.3744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7520    3.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3535    2.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1401    2.9451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3671    3.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201    4.0190    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 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
94111

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
147

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAgAAAEAAAEAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ethoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_CAS_NAME>
ethoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
ethoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_NAME>
ethoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethoxymethoxycyclododecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
VQNUNMBDOKEZHS-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.5

>  <PUBCHEM_EXACT_MASS>
242.22458

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H30O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
242.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOCOC1CCCCCCCCCCC1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOCOC1CCCCCCCCCCC1

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
242.22458

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <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

$$$$
