6442059
 OpenBabel05082101102D

 44 43  0  0  0  0  0  0  0  0999 V2000
    3.7320    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 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>
6442059

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
149

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACwgAMCCAAABACAACBCAAAAAAAgAAAICAAAAAgQAAIAAQAiAAAEgAAMAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-1,1-diethoxydec-4-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-1,1-diethoxy-4-decene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-1,1-diethoxydec-4-ene

>  <PUBCHEM_IUPAC_NAME>
(Z)-1,1-diethoxydec-4-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-1,1-diethoxydec-4-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-1,1-diethoxydec-4-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10-

>  <PUBCHEM_IUPAC_INCHIKEY>
PJGNMGFVWOAXQU-KHPPLWFESA-N

>  <PUBCHEM_XLOGP3_AA>
4.6

>  <PUBCHEM_EXACT_MASS>
228.20893

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H28O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
228.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CCCC(OCC)OCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC/C=C\CCC(OCC)OCC

>  <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>
1

>  <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

$$$$
