40923
  DSViewer          3D                             0

 25 24  0  0  0  0  0  0  0  0999 V2000
    4.7149   -1.1953   -0.5869 O   0  0  0  0  0  0  0  0  0  1
    4.6896    0.0365    0.1629 C   0  0  3  0  0  0  0  0  0  2
    3.4184    0.8715   -0.1539 C   0  0  0  0  0  0  0  0  0  3
    5.9257    0.8629   -0.2225 C   0  0  0  0  0  0  0  0  0  4
    2.1302    0.1223    0.2482 C   0  0  0  0  0  0  0  0  0  5
    7.1932    0.0551    0.1005 C   0  0  0  0  0  0  0  0  0  6
    0.9059    0.9914   -0.0877 C   0  0  0  0  0  0  0  0  0  7
    8.4046    0.8562   -0.2733 C   0  0  0  0  0  0  0  0  0  8
    9.6209    0.3518   -0.0785 C   0  0  0  0  0  0  0  0  0  9
    4.7245   -0.1863    1.2387 H   0  0  0  0  0  0  0  0  0 10
    3.4668    1.8114    0.3960 H   0  0  0  0  0  0  0  0  0 11
    3.3883    1.0772   -1.2239 H   0  0  0  0  0  0  0  0  0 12
    5.8972    1.0858   -1.2890 H   0  0  0  0  0  0  0  0  0 13
    5.9327    1.7942    0.3438 H   0  0  0  0  0  0  0  0  0 14
    2.0702   -0.8175   -0.3008 H   0  0  0  0  0  0  0  0  0 15
    2.1480   -0.0822    1.3187 H   0  0  0  0  0  0  0  0  0 16
    7.2200   -0.1679    1.1671 H   0  0  0  0  0  0  0  0  0 17
    7.1846   -0.8762   -0.4658 H   0  0  0  0  0  0  0  0  0 18
   -0.0043    0.4630    0.1959 H   0  0  0  0  0  0  0  0  0 19
    0.8878    1.1964   -1.1581 H   0  0  0  0  0  0  0  0  0 20
    0.9655    1.9315    0.4608 H   0  0  0  0  0  0  0  0  0 21
    3.9521   -1.7709   -0.3452 H   0  0  0  0  0  0  0  0  0 22
    8.2891    1.8507   -0.7041 H   0  0  0  0  0  0  0  0  0 23
    9.7359   -0.6428    0.3524 H   0  0  0  0  0  0  0  0  0 24
   10.5019    0.9334   -0.3498 H   0  0  0  0  0  0  0  0  0 25
  1  2  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4  6  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  7  1  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  6  8  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
40923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
69

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgCAACBCAAAAAAAgAAAIAAAAAAgAEAIAAQAAQAAEgAAAAAEAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oct-7-en-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
7-octen-4-ol

> <PUBCHEM_IUPAC_NAME>
oct-7-en-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oct-7-en-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oct-7-en-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MJWKMORBWQZWOT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
128.12

> <PUBCHEM_MOLECULAR_FORMULA>
C8H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
128.212

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC(CCC=C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC(CCC=C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
128.12

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
2  10  3

$$$$
