2682
  DSViewer          3D                             0

 51 50  0  0  0  0  0  0  0  0999 V2000
   19.5025   -0.4131    0.0001 O   0  0  0  0  0  0  0  0  0  1
    9.5437   -0.4659    0.0002 C   0  0  0  0  0  0  0  0  0  2
    8.2898    0.4255    0.0001 C   0  0  0  0  0  0  0  0  0  3
   10.8010    0.4208    0.0001 C   0  0  0  0  0  0  0  0  0  4
    7.0316   -0.4598    0.0002 C   0  0  0  0  0  0  0  0  0  5
   12.0556   -0.4696    0.0001 C   0  0  0  0  0  0  0  0  0  6
    5.7788    0.4330    0.0002 C   0  0  0  0  0  0  0  0  0  7
   13.3124    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  8
    4.5196   -0.4508    0.0003 C   0  0  0  0  0  0  0  0  0  9
   14.5672   -0.4721    0.0001 C   0  0  0  0  0  0  0  0  0 10
    3.2679    0.4435    0.0002 C   0  0  0  0  0  0  0  0  0 11
   15.8238    0.4156    0.0000 C   0  0  0  0  0  0  0  0  0 12
    2.0079   -0.4393    0.0003 C   0  0  0  0  0  0  0  0  0 13
   17.0790   -0.4744    0.0001 C   0  0  0  0  0  0  0  0  0 14
    0.7558    0.4557    0.0002 C   0  0  0  0  0  0  0  0  0 15
   18.3361    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0 16
   -0.5057   -0.4267    0.0003 C   0  0  0  0  0  0  0  0  0 17
    9.5425   -1.0949    0.8904 H   0  0  0  0  0  0  0  0  0 18
    9.5425   -1.0951   -0.8899 H   0  0  0  0  0  0  0  0  0 19
    8.2913    1.0547    0.8902 H   0  0  0  0  0  0  0  0  0 20
    8.2913    1.0545   -0.8901 H   0  0  0  0  0  0  0  0  0 21
   10.8019    1.0498   -0.8901 H   0  0  0  0  0  0  0  0  0 22
   10.8019    1.0500    0.8901 H   0  0  0  0  0  0  0  0  0 23
    7.0297   -1.0890   -0.8898 H   0  0  0  0  0  0  0  0  0 24
    7.0297   -1.0888    0.8905 H   0  0  0  0  0  0  0  0  0 25
   12.0549   -1.0986    0.8903 H   0  0  0  0  0  0  0  0  0 26
   12.0548   -1.0987   -0.8899 H   0  0  0  0  0  0  0  0  0 27
    5.7810    1.0622    0.8903 H   0  0  0  0  0  0  0  0  0 28
    5.7810    1.0620   -0.8900 H   0  0  0  0  0  0  0  0  0 29
   13.3130    1.0468   -0.8902 H   0  0  0  0  0  0  0  0  0 30
   13.3130    1.0470    0.8901 H   0  0  0  0  0  0  0  0  0 31
    4.5170   -1.0800   -0.8898 H   0  0  0  0  0  0  0  0  0 32
    4.5170   -1.0798    0.8905 H   0  0  0  0  0  0  0  0  0 33
   14.5667   -1.1011    0.8903 H   0  0  0  0  0  0  0  0  0 34
   14.5666   -1.1013   -0.8900 H   0  0  0  0  0  0  0  0  0 35
    3.2708    1.0726    0.8903 H   0  0  0  0  0  0  0  0  0 36
    3.2708    1.0724   -0.8900 H   0  0  0  0  0  0  0  0  0 37
   15.8244    1.0445   -0.8902 H   0  0  0  0  0  0  0  0  0 38
   15.8244    1.0447    0.8901 H   0  0  0  0  0  0  0  0  0 39
    2.0049   -1.0685   -0.8898 H   0  0  0  0  0  0  0  0  0 40
    2.0049   -1.0683    0.8905 H   0  0  0  0  0  0  0  0  0 41
   17.0784   -1.1034    0.8903 H   0  0  0  0  0  0  0  0  0 42
   17.0784   -1.1036   -0.8900 H   0  0  0  0  0  0  0  0  0 43
    0.7590    1.0849    0.8903 H   0  0  0  0  0  0  0  0  0 44
    0.7590    1.0847   -0.8900 H   0  0  0  0  0  0  0  0  0 45
   18.3366    1.0424    0.8901 H   0  0  0  0  0  0  0  0  0 46
   18.3366    1.0423   -0.8902 H   0  0  0  0  0  0  0  0  0 47
   -1.3927    0.2066    0.0003 H   0  0  0  0  0  0  0  0  0 48
   -0.5093   -1.0561    0.8903 H   0  0  0  0  0  0  0  0  0 49
   -0.5093   -1.0563   -0.8895 H   0  0  0  0  0  0  0  0  0 50
   20.3111    0.1574    0.0000 H   0  0  0  0  0  0  0  0  0 51
  1 16  1  0  0  0
  1 51  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  5  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  6  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  7  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  8  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  9  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8 10  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 13  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 14  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 15  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 16  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 17  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2682

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
123

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hexadecan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-hexadecanol

> <PUBCHEM_IUPAC_NAME>
hexadecan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hexadecan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hexadecan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
BXWNKGSJHAJOGX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
7.3

> <PUBCHEM_EXACT_MASS>
242.261

> <PUBCHEM_MOLECULAR_FORMULA>
C16H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
242.441

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
242.261

> <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>
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

$$$$
