5281553
  DSViewer          3D                             0

 26 25  0  0  0  0  0  0  0  0999 V2000
    4.6204    0.2147   -0.0001 C   0  0  0  0  0  0  0  0  0  1
    2.1833   -0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  2
    3.4102   -0.6764   -0.0001 C   0  0  0  0  0  0  0  0  0  3
    5.8648   -0.6278    0.0001 C   0  0  0  0  0  0  0  0  0  4
    7.0697   -0.0580    0.0002 C   0  0  0  0  0  0  0  0  0  5
    0.9880   -1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  6
    1.9880    1.3377    0.0002 C   0  0  0  0  0  0  0  0  0  7
    7.2031    1.4431    0.0001 C   0  0  0  0  0  0  0  0  0  8
    8.2693   -0.8989    0.0004 C   0  0  0  0  0  0  0  0  0  9
    9.4789   -0.3424    0.0005 C   0  0  0  0  0  0  0  0  0 10
    4.6080    0.8435   -0.8903 H   0  0  0  0  0  0  0  0  0 11
    4.6079    0.8437    0.8900 H   0  0  0  0  0  0  0  0  0 12
    3.5368   -1.7590   -0.0001 H   0  0  0  0  0  0  0  0  0 13
    5.7813   -1.7146    0.0002 H   0  0  0  0  0  0  0  0  0 14
    0.0769   -0.4644    0.0001 H   0  0  0  0  0  0  0  0  0 15
    1.0091   -1.6918    0.8899 H   0  0  0  0  0  0  0  0  0 16
    1.0090   -1.6917   -0.8899 H   0  0  0  0  0  0  0  0  0 17
    0.9220    1.5652    0.0002 H   0  0  0  0  0  0  0  0  0 18
    2.4501    1.7652   -0.8897 H   0  0  0  0  0  0  0  0  0 19
    2.4502    1.7651    0.8900 H   0  0  0  0  0  0  0  0  0 20
    8.2587    1.7147    0.0002 H   0  0  0  0  0  0  0  0  0 21
    6.7235    1.8511    0.8899 H   0  0  0  0  0  0  0  0  0 22
    6.7236    1.8509   -0.8899 H   0  0  0  0  0  0  0  0  0 23
    8.1712   -1.9845    0.0004 H   0  0  0  0  0  0  0  0  0 24
    9.5795    0.7429    0.0004 H   0  0  0  0  0  0  0  0  0 25
   10.3686   -0.9722    0.0006 H   0  0  0  0  0  0  0  0  0 26
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281553

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3E)-3,7-dimethylocta-1,3,6-triene

> <PUBCHEM_IUPAC_CAS_NAME>
(3E)-3,7-dimethylocta-1,3,6-triene

> <PUBCHEM_IUPAC_NAME>
(3E)-3,7-dimethylocta-1,3,6-triene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3E)-3,7-dimethylocta-1,3,6-triene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E)-3,7-dimethylocta-1,3,6-triene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+

> <PUBCHEM_IUPAC_INCHIKEY>
IHPKGUQCSIINRJ-CSKARUKUSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
136.125

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.234

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CC/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>
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

$$$$
