519764
  DSViewer          3D                             0

 39 39  0  0  0  0  0  0  0  0999 V2000
    2.7857   -1.4095    0.3806 C   0  0  3  0  0  0  0  0  0  1
    2.6209    0.0967    0.0921 C   0  0  3  0  0  0  0  0  0  2
    1.4287   -2.1205    0.3338 C   0  0  0  0  0  0  0  0  0  3
    3.9930    0.7926    0.1700 C   0  0  0  0  0  0  0  0  0  4
    1.6108   -3.6127    0.6664 C   0  0  0  0  0  0  0  0  0  5
    3.7104   -2.0366   -0.6329 C   0  0  0  0  0  0  0  0  0  6
    2.0167    0.2990   -1.3155 C   0  0  0  0  0  0  0  0  0  7
    3.8108    2.2997   -0.0839 C   0  0  0  0  0  0  0  0  0  8
    2.6749   -4.2089   -0.2138 C   0  0  0  0  0  0  0  0  0  9
    3.6562   -3.3455   -0.8891 C   0  0  0  0  0  0  0  0  0 10
    5.1408    2.9936   -0.0071 C   0  0  0  0  0  0  0  0  0 11
    2.7504   -5.5305   -0.3547 C   0  0  0  0  0  0  0  0  0 12
    5.2164    4.3221   -0.0934 C   0  0  0  0  0  0  0  0  0 13
    6.5535    4.9993   -0.0163 C   0  0  0  0  0  0  0  0  0 14
    3.9692    5.1485   -0.2625 C   0  0  0  0  0  0  0  0  0 15
    3.2136   -1.5361    1.3847 H   0  0  0  0  0  0  0  0  0 16
    1.9503    0.5352    0.8436 H   0  0  0  0  0  0  0  0  0 17
    0.7570   -1.6667    1.0625 H   0  0  0  0  0  0  0  0  0 18
    1.0026   -2.0217   -0.6646 H   0  0  0  0  0  0  0  0  0 19
    4.4238    0.6391    1.1594 H   0  0  0  0  0  0  0  0  0 20
    4.6577    0.3735   -0.5853 H   0  0  0  0  0  0  0  0  0 21
    1.9060   -3.7164    1.7105 H   0  0  0  0  0  0  0  0  0 22
    0.6696   -4.1369    0.5006 H   0  0  0  0  0  0  0  0  0 23
    4.4314   -1.4136   -1.1623 H   0  0  0  0  0  0  0  0  0 24
    1.9029    1.3649   -1.5129 H   0  0  0  0  0  0  0  0  0 25
    1.0415   -0.1854   -1.3659 H   0  0  0  0  0  0  0  0  0 26
    2.6787   -0.1396   -2.0622 H   0  0  0  0  0  0  0  0  0 27
    3.3809    2.4502   -1.0742 H   0  0  0  0  0  0  0  0  0 28
    3.1421    2.7152    0.6700 H   0  0  0  0  0  0  0  0  0 29
    4.3491   -3.7809   -1.6092 H   0  0  0  0  0  0  0  0  0 30
    6.0507    2.4070    0.1200 H   0  0  0  0  0  0  0  0  0 31
    2.0430   -6.1754    0.1665 H   0  0  0  0  0  0  0  0  0 32
    3.5196   -5.9676   -0.9914 H   0  0  0  0  0  0  0  0  0 33
    6.4208    6.0776   -0.1044 H   0  0  0  0  0  0  0  0  0 34
    7.1884    4.6444   -0.8281 H   0  0  0  0  0  0  0  0  0 35
    7.0236    4.7686    0.9397 H   0  0  0  0  0  0  0  0  0 36
    4.2361    6.2041   -0.3126 H   0  0  0  0  0  0  0  0  0 37
    3.3047    4.9822    0.5854 H   0  0  0  0  0  0  0  0  0 38
    3.4625    4.8584   -1.1830 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2  7  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  8  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  9  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6 10  2  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 11  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 12  2  0  0  0
 10 30  1  0  0  0
 11 13  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
519764

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAgAAIgAMAgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1,5-dimethylhex-4-enyl)-6-methylene-cyclohexene

> <PUBCHEM_IUPAC_CAS_NAME>
3-methylene-6-(6-methylhept-5-en-2-yl)cyclohexene

> <PUBCHEM_IUPAC_NAME>
3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(6-methylhept-5-en-2-yl)-6-methylidene-cyclohexene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1,5-dimethylhex-4-enyl)-6-methylene-cyclohexene

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

> <PUBCHEM_IUPAC_INCHIKEY>
PHWISBHSBNDZDX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CCC=C(C)C)C1CCC(=C)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CCC=C(C)C)C1CCC(=C)C=C1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  6  3
2  7  3

$$$$
