637566
  DSViewer          3D                             0

 29 28  0  0  0  0  0  0  0  0999 V2000
   10.8363    0.9032   -0.0002 O   0  0  0  0  0  0  0  0  0  1
    5.9955    0.8702   -0.0001 C   0  0  0  0  0  0  0  0  0  2
    4.7815   -0.0800    0.0003 C   0  0  0  0  0  0  0  0  0  3
    7.2830    0.0835    0.0002 C   0  0  0  0  0  0  0  0  0  4
    3.5126    0.7253    0.0001 C   0  0  0  0  0  0  0  0  0  5
    2.3242    0.1207    0.0004 C   0  0  0  0  0  0  0  0  0  6
    7.2564   -1.4259    0.0009 C   0  0  0  0  0  0  0  0  0  7
    8.4473    0.7333   -0.0001 C   0  0  0  0  0  0  0  0  0  8
    1.0698    0.9446    0.0001 C   0  0  0  0  0  0  0  0  0  9
    2.2314   -1.3818    0.0010 C   0  0  0  0  0  0  0  0  0 10
    9.7477   -0.0222    0.0002 C   0  0  0  0  0  0  0  0  0 11
    5.9591    1.4979   -0.8905 H   0  0  0  0  0  0  0  0  0 12
    5.9592    1.4987    0.8897 H   0  0  0  0  0  0  0  0  0 13
    4.8124   -0.7087   -0.8895 H   0  0  0  0  0  0  0  0  0 14
    4.8125   -0.7080    0.8907 H   0  0  0  0  0  0  0  0  0 15
    3.5643    1.8141   -0.0004 H   0  0  0  0  0  0  0  0  0 16
    8.2772   -1.8078    0.0010 H   0  0  0  0  0  0  0  0  0 17
    6.7363   -1.7810   -0.8888 H   0  0  0  0  0  0  0  0  0 18
    6.7363   -1.7802    0.8909 H   0  0  0  0  0  0  0  0  0 19
    8.4567    1.8232   -0.0006 H   0  0  0  0  0  0  0  0  0 20
    0.2016    0.2855    0.0004 H   0  0  0  0  0  0  0  0  0 21
    1.0476    1.5734   -0.8900 H   0  0  0  0  0  0  0  0  0 22
    1.0477    1.5741    0.8897 H   0  0  0  0  0  0  0  0  0 23
    1.1835   -1.6816    0.0012 H   0  0  0  0  0  0  0  0  0 24
    2.7217   -1.7763    0.8910 H   0  0  0  0  0  0  0  0  0 25
    2.7217   -1.7770   -0.8888 H   0  0  0  0  0  0  0  0  0 26
    9.8037   -0.6492   -0.8897 H   0  0  0  0  0  0  0  0  0 27
    9.8037   -0.6484    0.8906 H   0  0  0  0  0  0  0  0  0 28
   11.6918    0.4059   -0.0000 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  7  1  0  0  0
  4  8  2  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 11  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 10 25  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>
637566

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
150

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADACggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2E)-3,7-dimethyl-1-octa-2,6-dienol

> <PUBCHEM_IUPAC_NAME>
(2E)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

> <PUBCHEM_IUPAC_INCHIKEY>
GLZPCOQZEFWAFX-JXMROGBWSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCO)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/CO)/C)C

> <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>
1

> <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

$$$$
