5352836
 OpenBabel05082101102D

 25 24  0  0  0  0  0  0  0  0999 V2000
    7.1962   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5352836

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
67

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAEAAAAQAAQAAEgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-oct-4-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-4-octen-1-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-oct-4-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
(Z)-oct-4-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-oct-4-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-oct-4-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h4-5,9H,2-3,6-8H2,1H3/b5-4-

>  <PUBCHEM_IUPAC_INCHIKEY>
OZQBPZSICOOLGU-PLNGDYQASA-N

>  <PUBCHEM_XLOGP3_AA>
2.2

>  <PUBCHEM_EXACT_MASS>
128.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
128.21

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC=CCCCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC/C=C\CCCO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
128.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
9

>  <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

$$$$
