8174
  DSViewer          3D                             0

 33 32  0  0  0  0  0  0  0  0999 V2000
   13.1269    0.4320   -0.0002 O   0  0  0  0  0  0  0  0  0  1
    6.9412   -0.4198    0.0003 C   0  0  0  0  0  0  0  0  0  2
    5.6814    0.4626    0.0001 C   0  0  0  0  0  0  0  0  0  3
    8.1923    0.4749   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    4.4307   -0.4327    0.0005 C   0  0  0  0  0  0  0  0  0  5
    9.4517   -0.4082    0.0002 C   0  0  0  0  0  0  0  0  0  6
    3.1703    0.4493    0.0004 C   0  0  0  0  0  0  0  0  0  7
   10.7036    0.4858   -0.0002 C   0  0  0  0  0  0  0  0  0  8
    1.9188   -0.4462    0.0008 C   0  0  0  0  0  0  0  0  0  9
   11.9633   -0.3978    0.0001 C   0  0  0  0  0  0  0  0  0 10
    0.6571    0.4357    0.0006 C   0  0  0  0  0  0  0  0  0 11
    6.9443   -1.0486    0.8907 H   0  0  0  0  0  0  0  0  0 12
    6.9442   -1.0492   -0.8896 H   0  0  0  0  0  0  0  0  0 13
    5.6782    1.0920    0.8900 H   0  0  0  0  0  0  0  0  0 14
    5.6781    1.0914   -0.8902 H   0  0  0  0  0  0  0  0  0 15
    8.1893    1.1036   -0.8904 H   0  0  0  0  0  0  0  0  0 16
    8.1894    1.1042    0.8899 H   0  0  0  0  0  0  0  0  0 17
    4.4339   -1.0621   -0.8894 H   0  0  0  0  0  0  0  0  0 18
    4.4341   -1.0615    0.8909 H   0  0  0  0  0  0  0  0  0 19
    9.4544   -1.0370    0.8905 H   0  0  0  0  0  0  0  0  0 20
    9.4544   -1.0376   -0.8897 H   0  0  0  0  0  0  0  0  0 21
    3.1671    1.0787    0.8903 H   0  0  0  0  0  0  0  0  0 22
    3.1669    1.0781   -0.8900 H   0  0  0  0  0  0  0  0  0 23
   10.7009    1.1146   -0.8905 H   0  0  0  0  0  0  0  0  0 24
   10.7009    1.1152    0.8898 H   0  0  0  0  0  0  0  0  0 25
    1.9222   -1.0756   -0.8891 H   0  0  0  0  0  0  0  0  0 26
    1.9224   -1.0750    0.8911 H   0  0  0  0  0  0  0  0  0 27
   11.9657   -1.0272   -0.8898 H   0  0  0  0  0  0  0  0  0 28
   11.9657   -1.0266    0.8905 H   0  0  0  0  0  0  0  0  0 29
   -0.2297   -0.1979    0.0009 H   0  0  0  0  0  0  0  0  0 30
    0.6532    1.0650   -0.8894 H   0  0  0  0  0  0  0  0  0 31
    0.6534    1.0655    0.8903 H   0  0  0  0  0  0  0  0  0 32
   13.9372   -0.1360   -0.0000 H   0  0  0  0  0  0  0  0  0 33
  1 10  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  8  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  9  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 10  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 11  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8174

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
61.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
decan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-decanol

> <PUBCHEM_IUPAC_NAME>
decan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
decan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
decan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
MWKFXSUHUHTGQN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.6

> <PUBCHEM_EXACT_MASS>
158.167

> <PUBCHEM_MOLECULAR_FORMULA>
C10H22O

> <PUBCHEM_MOLECULAR_WEIGHT>
158.281

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
158.167

> <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>
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

$$$$
