162027
 OpenBabel05082101102D

 42 41  0  0  1  0  0  0  0  0999 V2000
    7.1962    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.1089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.1089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932   -1.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401   -1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    0.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
162027

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
229

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADESwgAMCCAAABACAAiBCAAAAAAAgAAAICAAAAAgQBAIAIQAiAAAEgAAMIAIAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1-ethoxyethoxy)-3,7-dimethyl-octa-1,6-diene

>  <PUBCHEM_IUPAC_CAS_NAME>
3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene

>  <PUBCHEM_IUPAC_NAME>
3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(1-ethoxyethoxy)-3,7-dimethyl-octa-1,6-diene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1-ethoxyethoxy)-3,7-dimethyl-octa-1,6-diene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3

>  <PUBCHEM_IUPAC_INCHIKEY>
ZJPKYCLAROITRY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4

>  <PUBCHEM_EXACT_MASS>
226.19328

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H26O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
226.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(C)OC(C)(CCC=C(C)C)C=C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(C)OC(C)(CCC=C(C)C)C=C

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.19328

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
3  6  3
8  10  3

$$$$
