87632
  DSViewer          3D                             0

 29 28  0  0  0  0  0  0  0  0999 V2000
   13.1931    0.4205    0.0001 O   0  0  0  0  0  0  0  0  0  1
    3.4420    0.4487    0.0000 C   0  0  0  0  0  0  0  0  0  2
    4.7441   -0.3710    0.0003 C   0  0  0  0  0  0  0  0  0  3
    2.2343   -0.5048    0.0001 C   0  0  0  0  0  0  0  0  0  4
    5.9473    0.5870    0.0002 C   0  0  0  0  0  0  0  0  0  5
    0.9328    0.3176   -0.0002 C   0  0  0  0  0  0  0  0  0  6
    7.2204   -0.2055    0.0004 C   0  0  0  0  0  0  0  0  0  7
    8.3920    0.4256    0.0003 C   0  0  0  0  0  0  0  0  0  8
    9.6363   -0.3400    0.0005 C   0  0  0  0  0  0  0  0  0  9
   10.8050    0.2968    0.0003 C   0  0  0  0  0  0  0  0  0 10
   12.0859   -0.4839    0.0004 C   0  0  0  0  0  0  0  0  0 11
    3.4084    1.0770    0.8901 H   0  0  0  0  0  0  0  0  0 12
    3.4086    1.0768   -0.8902 H   0  0  0  0  0  0  0  0  0 13
    4.7788   -0.9990    0.8905 H   0  0  0  0  0  0  0  0  0 14
    4.7789   -0.9992   -0.8898 H   0  0  0  0  0  0  0  0  0 15
    2.2673   -1.1331   -0.8900 H   0  0  0  0  0  0  0  0  0 16
    2.2671   -1.1329    0.8903 H   0  0  0  0  0  0  0  0  0 17
    5.9110    1.2150   -0.8900 H   0  0  0  0  0  0  0  0  0 18
    5.9109    1.2152    0.8903 H   0  0  0  0  0  0  0  0  0 19
    0.0764   -0.3567   -0.0001 H   0  0  0  0  0  0  0  0  0 20
    0.8997    0.9461   -0.8901 H   0  0  0  0  0  0  0  0  0 21
    0.8995    0.9463    0.8896 H   0  0  0  0  0  0  0  0  0 22
    7.1862   -1.2950    0.0006 H   0  0  0  0  0  0  0  0  0 23
    8.4234    1.5152    0.0001 H   0  0  0  0  0  0  0  0  0 24
    9.6076   -1.4296    0.0007 H   0  0  0  0  0  0  0  0  0 25
   10.8314    1.3865    0.0000 H   0  0  0  0  0  0  0  0  0 26
   12.1290   -1.1118   -0.8895 H   0  0  0  0  0  0  0  0  0 27
   12.1291   -1.1112    0.8908 H   0  0  0  0  0  0  0  0  0 28
   14.0390   -0.0929    0.0002 H   0  0  0  0  0  0  0  0  0 29
  1 11  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 20  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
87632

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
114

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgIFAIAAQAAEAAAgAAIkAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
deca-2,4-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-deca-2,4-dienol

> <PUBCHEM_IUPAC_NAME>
deca-2,4-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
deca-2,4-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
deca-2,4-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
NUBWFSDCZULDCI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CC=CCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC=CC=CCO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <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>
2

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  8  1
9  10  1

$$$$
