6429972
  DSViewer          3D                             0

 37 36  0  0  0  0  0  0  0  0999 V2000
    7.9832   -0.7219    0.0004 C   0  0  0  0  0  0  0  0  0  1
    9.0792   -1.8041    0.0035 C   0  0  0  0  0  0  0  0  0  2
    6.6271   -1.3714    0.0004 C   0  0  0  0  0  0  0  0  0  3
    5.5206   -0.6297   -0.0012 C   0  0  0  0  0  0  0  0  0  4
   10.4436   -1.1629    0.0014 C   0  0  0  0  0  0  0  0  0  5
    4.1901   -1.3593   -0.0020 C   0  0  0  0  0  0  0  0  0  6
    5.6722    0.8821   -0.0033 C   0  0  0  0  0  0  0  0  0  7
    2.9356   -0.8672   -0.0005 C   0  0  0  0  0  0  0  0  0  8
   11.6406   -2.0057    0.0040 C   0  0  0  0  0  0  0  0  0  9
    1.2639    0.9099    0.0002 C   0  0  0  0  0  0  0  0  0 10
    2.5471    0.5544    0.0047 C   0  0  0  0  0  0  0  0  0 11
   10.5657    0.1648   -0.0034 C   0  0  0  0  0  0  0  0  0 12
    0.8951    2.3645    0.0060 C   0  0  0  0  0  0  0  0  0 13
    0.1848   -0.1366   -0.0111 C   0  0  0  0  0  0  0  0  0 14
   12.8508   -1.4505    0.0015 C   0  0  0  0  0  0  0  0  0 15
    8.0864   -0.0998    0.8894 H   0  0  0  0  0  0  0  0  0 16
    8.0880   -0.1032   -0.8908 H   0  0  0  0  0  0  0  0  0 17
    8.9730   -2.4215    0.8955 H   0  0  0  0  0  0  0  0  0 18
    8.9728   -2.4268   -0.8848 H   0  0  0  0  0  0  0  0  0 19
    6.5488   -2.4585    0.0018 H   0  0  0  0  0  0  0  0  0 20
    4.2597   -2.4470   -0.0041 H   0  0  0  0  0  0  0  0  0 21
    4.6862    1.3467   -0.0044 H   0  0  0  0  0  0  0  0  0 22
    6.2201    1.1916   -0.8933 H   0  0  0  0  0  0  0  0  0 23
    6.2192    1.1942    0.8865 H   0  0  0  0  0  0  0  0  0 24
    2.1247   -1.5956   -0.0033 H   0  0  0  0  0  0  0  0  0 25
   11.5409   -3.0911    0.0081 H   0  0  0  0  0  0  0  0  0 26
    3.3192    1.3238    0.0122 H   0  0  0  0  0  0  0  0  0 27
    9.6756    0.7940   -0.0059 H   0  0  0  0  0  0  0  0  0 28
   11.5556    0.6211   -0.0049 H   0  0  0  0  0  0  0  0  0 29
   -0.1902    2.4647    0.0012 H   0  0  0  0  0  0  0  0  0 30
    1.3081    2.8482   -0.8792 H   0  0  0  0  0  0  0  0  0 31
   -0.7917    0.3477   -0.0133 H   0  0  0  0  0  0  0  0  0 32
    0.2767   -0.7636    0.8758 H   0  0  0  0  0  0  0  0  0 33
    0.2857   -0.7537   -0.9039 H   0  0  0  0  0  0  0  0  0 34
    1.2992    2.8387    0.9005 H   0  0  0  0  0  0  0  0  0 35
   12.9525   -0.3652   -0.0025 H   0  0  0  0  0  0  0  0  0 36
   13.7398   -2.0812    0.0035 H   0  0  0  0  0  0  0  0  0 37
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  5  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
  5  9  1  0  0  0
  5 12  2  0  0  0
  6  8  2  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 11  1  0  0  0
  8 25  1  0  0  0
  9 15  2  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 13 35  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6429972

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
294

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6E,8Z)-7,11-dimethyl-3-methylene-dodeca-1,6,8,10-tetraene

> <PUBCHEM_IUPAC_CAS_NAME>
(6E,8Z)-7,11-dimethyl-3-methylenedodeca-1,6,8,10-tetraene

> <PUBCHEM_IUPAC_NAME>
(6E,8Z)-7,11-dimethyl-3-methylidenedodeca-1,6,8,10-tetraene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6E,8Z)-7,11-dimethyl-3-methylidene-dodeca-1,6,8,10-tetraene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6E,8Z)-7,11-dimethyl-3-methylene-dodeca-1,6,8,10-tetraene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-7,9,11-12H,1,4,8,10H2,2-3,5H3/b11-7-,15-12+

> <PUBCHEM_IUPAC_INCHIKEY>
CGBUBCVUNBWRCL-XHDUDTNGSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
202.172

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22

> <PUBCHEM_MOLECULAR_WEIGHT>
202.335

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.172

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

$$$$
