25612
  DSViewer          3D                             0

 31 30  0  0  0  0  0  0  0  0999 V2000
   12.8363    0.4015   -0.0000 O   0  0  0  0  0  0  0  0  0  1
    6.6444   -0.4112    0.0003 C   0  0  0  0  0  0  0  0  0  2
    7.9032    0.4727   -0.0001 C   0  0  0  0  0  0  0  0  0  3
    5.3933    0.4836   -0.0000 C   0  0  0  0  0  0  0  0  0  4
    9.1562   -0.4193    0.0003 C   0  0  0  0  0  0  0  0  0  5
    4.1327   -0.3976    0.0004 C   0  0  0  0  0  0  0  0  0  6
   10.4136    0.4672   -0.0000 C   0  0  0  0  0  0  0  0  0  7
    2.8829    0.4996    0.0001 C   0  0  0  0  0  0  0  0  0  8
   11.6686   -0.4229    0.0003 C   0  0  0  0  0  0  0  0  0  9
    1.6520   -0.3582    0.0006 C   0  0  0  0  0  0  0  0  0 10
    0.4471    0.2078    0.0005 C   0  0  0  0  0  0  0  0  0 11
    6.6416   -1.0407   -0.8895 H   0  0  0  0  0  0  0  0  0 12
    6.6417   -1.0399    0.8907 H   0  0  0  0  0  0  0  0  0 13
    7.9052    1.1014   -0.8905 H   0  0  0  0  0  0  0  0  0 14
    7.9052    1.1022    0.8898 H   0  0  0  0  0  0  0  0  0 15
    5.3967    1.1131    0.8899 H   0  0  0  0  0  0  0  0  0 16
    5.3967    1.1123   -0.8904 H   0  0  0  0  0  0  0  0  0 17
    9.1548   -1.0480    0.8907 H   0  0  0  0  0  0  0  0  0 18
    9.1548   -1.0488   -0.8896 H   0  0  0  0  0  0  0  0  0 19
    4.1287   -1.0271   -0.8895 H   0  0  0  0  0  0  0  0  0 20
    4.1288   -1.0263    0.8908 H   0  0  0  0  0  0  0  0  0 21
   10.4144    1.0959   -0.8905 H   0  0  0  0  0  0  0  0  0 22
   10.4144    1.0967    0.8898 H   0  0  0  0  0  0  0  0  0 23
    2.8874    1.1290    0.8900 H   0  0  0  0  0  0  0  0  0 24
    2.8872    1.1283   -0.8903 H   0  0  0  0  0  0  0  0  0 25
   11.6679   -1.0523   -0.8895 H   0  0  0  0  0  0  0  0  0 26
   11.6679   -1.0516    0.8907 H   0  0  0  0  0  0  0  0  0 27
    1.7442   -1.4443    0.0010 H   0  0  0  0  0  0  0  0  0 28
   13.6440   -0.1702    0.0002 H   0  0  0  0  0  0  0  0  0 29
    0.3552    1.2939    0.0000 H   0  0  0  0  0  0  0  0  0 30
   -0.4476   -0.4148    0.0008 H   0  0  0  0  0  0  0  0  0 31
  1  9  1  0  0  0
  1 29  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 26  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25612

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
78.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAIAAAAAAgCAACBCAAAAAAAgAAAIAAAAAAgAEAIAAQAAQAAEgAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dec-9-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
9-decen-1-ol

> <PUBCHEM_IUPAC_NAME>
dec-9-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dec-9-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dec-9-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
QGFSQVPRCWJZQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.6

> <PUBCHEM_EXACT_MASS>
156.151

> <PUBCHEM_MOLECULAR_FORMULA>
C10H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
156.265

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCCCCCCCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCCCCCCCCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
156.151

> <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

$$$$
