5371125
  DSViewer          3D                             0

 26 25  0  0  0  0  0  0  0  0999 V2000
    2.1693    0.2303    0.0003 C   0  0  0  0  0  0  0  0  0  1
    7.0204    0.2851   -0.0001 C   0  0  0  0  0  0  0  0  0  2
    3.3161   -0.4480    0.0002 C   0  0  0  0  0  0  0  0  0  3
    5.7363   -0.4231    0.0001 C   0  0  0  0  0  0  0  0  0  4
    4.5950    0.2619    0.0001 C   0  0  0  0  0  0  0  0  0  5
    0.8639   -0.5103    0.0005 C   0  0  0  0  0  0  0  0  0  6
    2.1769    1.7343    0.0003 C   0  0  0  0  0  0  0  0  0  7
    7.0503    1.7875   -0.0003 C   0  0  0  0  0  0  0  0  0  8
    8.1638   -0.3992   -0.0000 C   0  0  0  0  0  0  0  0  0  9
    8.1527   -1.9028    0.0002 C   0  0  0  0  0  0  0  0  0 10
    3.3012   -1.5379    0.0003 H   0  0  0  0  0  0  0  0  0 11
    5.7163   -1.5129    0.0002 H   0  0  0  0  0  0  0  0  0 12
    4.6134    1.3518   -0.0001 H   0  0  0  0  0  0  0  0  0 13
    1.1513    2.1033    0.0004 H   0  0  0  0  0  0  0  0  0 14
    2.6924    2.0956   -0.8896 H   0  0  0  0  0  0  0  0  0 15
    0.0405    0.2038    0.0006 H   0  0  0  0  0  0  0  0  0 16
    0.8011   -1.1367    0.8904 H   0  0  0  0  0  0  0  0  0 17
    0.8009   -1.1367   -0.8894 H   0  0  0  0  0  0  0  0  0 18
    2.6925    2.0956    0.8901 H   0  0  0  0  0  0  0  0  0 19
    8.0848    2.1309   -0.0004 H   0  0  0  0  0  0  0  0  0 20
    6.5440    2.1617    0.8895 H   0  0  0  0  0  0  0  0  0 21
    6.5439    2.1614   -0.8903 H   0  0  0  0  0  0  0  0  0 22
    9.1140    0.1348   -0.0002 H   0  0  0  0  0  0  0  0  0 23
    9.1774   -2.2742    0.0003 H   0  0  0  0  0  0  0  0  0 24
    7.6363   -2.2630   -0.8896 H   0  0  0  0  0  0  0  0  0 25
    7.6364   -2.2627    0.8902 H   0  0  0  0  0  0  0  0  0 26
  1  3  2  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  2  0  0  0
  3  5  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5 13  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 14  1  0  0  0
  7 15  1  0  0  0
  7 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  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
M  END
> <PUBCHEM_COMPOUND_CID>
5371125

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
165

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4E,6Z)-2,6-dimethylocta-2,4,6-triene

> <PUBCHEM_IUPAC_CAS_NAME>
(4E,6Z)-2,6-dimethylocta-2,4,6-triene

> <PUBCHEM_IUPAC_NAME>
(4E,6Z)-2,6-dimethylocta-2,4,6-triene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4E,6Z)-2,6-dimethylocta-2,4,6-triene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4E,6Z)-2,6-dimethylocta-2,4,6-triene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5-

> <PUBCHEM_IUPAC_INCHIKEY>
GQVMHMFBVWSSPF-DAIHKBMKSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
136.125

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.234

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C(/C)\C=C\C=C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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

$$$$
