5281517
  -OEChem-08271502032D

 39 38  0     0  0  0  0  0  0999 V2000
    8.0622   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 34  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281517

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
260

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

> <PUBCHEM_IUPAC_INCHIKEY>
JSNRRGGBADWTMC-NTCAYCPXSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
204.187801

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35106

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

> <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>
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

$$$$
