5320250
  DSViewer          3D                             0

 26 25  0  0  0  0  0  0  0  0999 V2000
    4.5839   -0.0052    0.0001 C   0  0  0  0  0  0  0  0  0  1
    2.1425   -0.3498    0.0001 C   0  0  0  0  0  0  0  0  0  2
    3.3644   -0.8832   -0.0001 C   0  0  0  0  0  0  0  0  0  3
    5.8169   -0.8620   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    7.0258   -0.3023    0.0001 C   0  0  0  0  0  0  0  0  0  5
    0.9388   -1.2463   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    1.9614    1.1445    0.0005 C   0  0  0  0  0  0  0  0  0  7
    8.2503   -1.1731   -0.0001 C   0  0  0  0  0  0  0  0  0  8
    7.1622    1.1593    0.0004 C   0  0  0  0  0  0  0  0  0  9
    8.3696    1.7211    0.0006 C   0  0  0  0  0  0  0  0  0 10
    4.5786    0.6241   -0.8899 H   0  0  0  0  0  0  0  0  0 11
    4.5786    0.6237    0.8904 H   0  0  0  0  0  0  0  0  0 12
    3.4799   -1.9671   -0.0004 H   0  0  0  0  0  0  0  0  0 13
    5.7224   -1.9479   -0.0003 H   0  0  0  0  0  0  0  0  0 14
    0.0333   -0.6396    0.0000 H   0  0  0  0  0  0  0  0  0 15
    0.9539   -1.8758    0.8896 H   0  0  0  0  0  0  0  0  0 16
    0.9539   -1.8754   -0.8902 H   0  0  0  0  0  0  0  0  0 17
    0.8976    1.3820    0.0005 H   0  0  0  0  0  0  0  0  0 18
    2.4275    1.5678   -0.8893 H   0  0  0  0  0  0  0  0  0 19
    2.4276    1.5673    0.8904 H   0  0  0  0  0  0  0  0  0 20
    9.1422   -0.5466    0.0001 H   0  0  0  0  0  0  0  0  0 21
    8.2492   -1.8024   -0.8901 H   0  0  0  0  0  0  0  0  0 22
    8.2491   -1.8028    0.8896 H   0  0  0  0  0  0  0  0  0 23
    6.2715    1.7875    0.0006 H   0  0  0  0  0  0  0  0  0 24
    9.2620    1.0952    0.0005 H   0  0  0  0  0  0  0  0  0 25
    8.4655    2.8069    0.0009 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>
5320250

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-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-NTMALXAHSA-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

$$$$
