5365622
 OpenBabel05082101102D

 31 30  0  0  0  0  0  0  0  0999 V2000
    8.9282   -0.9400    0.0000 O   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
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    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
    7.1962   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    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
    3.7320   -0.9400    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
    2.0000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    2.1426    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
    3.1951   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5365622

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
86.9

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAEAIAAQAAQAAEgAAIAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-dec-5-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-5-decen-1-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-dec-5-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
(Z)-dec-5-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-dec-5-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-dec-5-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5-

>  <PUBCHEM_IUPAC_INCHIKEY>
WYPQHXVMNVEVEB-WAYWQWQTSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
156.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
156.26

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC=CCCCCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC/C=C\CCCCO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
156.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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

$$$$
