445128
  -OEChem-11232513052D

 47 46  0     0  0  0  0  0  0999 V2000
   14.1244   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.1900    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
   13.2583   -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
    4.5981   -0.6900    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    0.3100    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
    2.8660   -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
   10.1928   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -1.6650    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
   13.6569   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.8800    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
    3.7320   -1.8100    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
    2.3291   -1.0000    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
  1 10  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 16  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 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>
445128

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
182

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgIEAIAAQAAQAAEgAAIgAOAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(10E,12Z)-hexadeca-10,12-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(10E,12Z)-1-hexadeca-10,12-dienol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(10<I>E</I>,12<I>Z</I>)-hexadeca-10,12-dien-1-ol

> <PUBCHEM_IUPAC_NAME>
(10E,12Z)-hexadeca-10,12-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(10E,12Z)-hexadeca-10,12-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(10E,12Z)-hexadeca-10,12-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+

> <PUBCHEM_IUPAC_INCHIKEY>
CIVIWCVVOFNUST-SCFJQAPRSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
238.229665576

> <PUBCHEM_MOLECULAR_FORMULA>
C16H30O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.41

> <PUBCHEM_SMILES>
CCC/C=C\C=C\CCCCCCCCCO

> <PUBCHEM_CONNECTIVITY_SMILES>
CCCC=CC=CCCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.229665576

> <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>
2

> <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

$$$$
