5318102
  -OEChem-09041501402D

 39 39  0     0  0  0  0  0  0999 V2000
    5.9548    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5729   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7952   -0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8217    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8408   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088    0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5747    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7106   -1.3742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911   -0.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    1.5057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4592   -0.8633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3162   -0.6783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1312    0.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1308    0.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3591    1.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125    1.2358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   -1.7446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -1.7446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068   -1.8897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4982   -0.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967   -1.3523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102    0.7053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076    0.0698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    1.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127    1.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9262    0.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995    0.4713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -0.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    2.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.8088    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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  2  0  0  0  0
  3 18  1  0  0  0  0
  4 19  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
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 14 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>
5318102

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
276

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADgCAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1E,5E)-1,4,4-trimethyl-8-methylene-cycloundeca-1,5-diene

> <PUBCHEM_IUPAC_CAS_NAME>
(1E,5E)-1,4,4-trimethyl-8-methylenecycloundeca-1,5-diene

> <PUBCHEM_IUPAC_NAME>
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1E,5E)-1,4,4-trimethyl-8-methylidene-cycloundeca-1,5-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1E,5E)-1,4,4-trimethyl-8-methylene-cycloundeca-1,5-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10+

> <PUBCHEM_IUPAC_INCHIKEY>
HAVYZKHVTLAPDZ-PPGMXFKZSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
204.187801

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35106

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(C=CCC(=C)CCC1)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CC(/C=C/CC(=C)CCC1)(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>
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

$$$$
