8193
  DSViewer          3D                             0

 39 38  0  0  0  0  0  0  0  0999 V2000
   15.2525   -0.4237   -0.0001 O   0  0  0  0  0  0  0  0  0  1
    7.8066   -0.4677    0.0001 C   0  0  0  0  0  0  0  0  0  2
    6.5548    0.4262    0.0003 C   0  0  0  0  0  0  0  0  0  3
    9.0652    0.4166    0.0002 C   0  0  0  0  0  0  0  0  0  4
    5.2955   -0.4569    0.0002 C   0  0  0  0  0  0  0  0  0  5
   10.3178   -0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  6
    4.0444    0.4380    0.0003 C   0  0  0  0  0  0  0  0  0  7
   11.5756    0.4093    0.0001 C   0  0  0  0  0  0  0  0  0  8
    2.7843   -0.4444    0.0002 C   0  0  0  0  0  0  0  0  0  9
   12.8292   -0.4824   -0.0001 C   0  0  0  0  0  0  0  0  0 10
    1.5326    0.4510    0.0003 C   0  0  0  0  0  0  0  0  0 11
   14.0872    0.4038    0.0000 C   0  0  0  0  0  0  0  0  0 12
    0.2711   -0.4312    0.0002 C   0  0  0  0  0  0  0  0  0 13
    7.8042   -1.0969    0.8901 H   0  0  0  0  0  0  0  0  0 14
    7.8042   -1.0966   -0.8901 H   0  0  0  0  0  0  0  0  0 15
    6.5576    1.0551    0.8905 H   0  0  0  0  0  0  0  0  0 16
    6.5575    1.0554   -0.8897 H   0  0  0  0  0  0  0  0  0 17
    9.0673    1.0458   -0.8898 H   0  0  0  0  0  0  0  0  0 18
    9.0673    1.0455    0.8905 H   0  0  0  0  0  0  0  0  0 19
    5.2925   -1.0858   -0.8901 H   0  0  0  0  0  0  0  0  0 20
    5.2925   -1.0861    0.8902 H   0  0  0  0  0  0  0  0  0 21
   10.3160   -1.1053    0.8901 H   0  0  0  0  0  0  0  0  0 22
   10.3159   -1.1050   -0.8902 H   0  0  0  0  0  0  0  0  0 23
    4.0476    1.0669    0.8906 H   0  0  0  0  0  0  0  0  0 24
    4.0476    1.0672   -0.8897 H   0  0  0  0  0  0  0  0  0 25
   11.5771    1.0386   -0.8899 H   0  0  0  0  0  0  0  0  0 26
   11.5772    1.0383    0.8904 H   0  0  0  0  0  0  0  0  0 27
    2.7811   -1.0733   -0.8901 H   0  0  0  0  0  0  0  0  0 28
    2.7811   -1.0736    0.8902 H   0  0  0  0  0  0  0  0  0 29
   12.8278   -1.1116    0.8900 H   0  0  0  0  0  0  0  0  0 30
   12.8278   -1.1113   -0.8903 H   0  0  0  0  0  0  0  0  0 31
    1.5360    1.0799    0.8906 H   0  0  0  0  0  0  0  0  0 32
    1.5360    1.0802   -0.8897 H   0  0  0  0  0  0  0  0  0 33
   14.0884    1.0327    0.8903 H   0  0  0  0  0  0  0  0  0 34
   14.0883    1.0330   -0.8900 H   0  0  0  0  0  0  0  0  0 35
   -0.6159    0.2023    0.0003 H   0  0  0  0  0  0  0  0  0 36
    0.2673   -1.0609    0.8900 H   0  0  0  0  0  0  0  0  0 37
    0.2673   -1.0606   -0.8898 H   0  0  0  0  0  0  0  0  0 38
   16.0617    0.1460   -0.0001 H   0  0  0  0  0  0  0  0  0 39
  1 12  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  5  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  7  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  8  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 10  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 12  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 13  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8193

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
81.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dodecan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-dodecanol

> <PUBCHEM_IUPAC_NAME>
dodecan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dodecan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dodecan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LQZZUXJYWNFBMV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.1

> <PUBCHEM_EXACT_MASS>
186.198

> <PUBCHEM_MOLECULAR_FORMULA>
C12H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
186.334

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
186.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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

$$$$
