519743
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.5418    0.7736   -1.0072 C   0  0  3  0  0  0  0  0  0  1
    3.7471   -0.8747   -0.9537 C   0  0  3  0  0  0  0  0  0  2
    3.9630    1.2455    0.4401 C   0  0  3  0  0  0  0  0  0  3
    1.9888   -0.4401    0.7958 C   0  0  3  0  0  0  0  0  0  4
    3.0743    0.4229    1.4769 C   0  0  0  0  0  0  0  0  0  5
    2.0414    1.0702   -1.2731 C   0  0  0  0  0  0  0  0  0  6
    5.5780    0.9738    0.6658 C   0  0  3  0  0  0  0  0  0  7
    2.7026   -1.4093   -0.0393 C   0  0  0  0  0  0  0  0  0  8
    5.1063   -1.4286   -0.2534 C   0  0  0  0  0  0  0  0  0  9
    1.1446    0.4667   -0.1366 C   0  0  0  0  0  0  0  0  0 10
    6.1052   -0.3254   -0.1418 C   0  0  0  0  0  0  0  0  0 11
    4.3188    1.4799   -2.1826 C   0  0  0  0  0  0  0  0  0 12
    3.5386   -1.5355   -2.3349 C   0  0  0  0  0  0  0  0  0 13
    6.5098    2.0901    0.1000 C   0  0  0  0  0  0  0  0  0 14
    2.4396   -2.7135    0.0374 C   0  0  0  0  0  0  0  0  0 15
    3.7655    2.3022    0.6653 H   0  0  0  0  0  0  0  0  0 16
    1.3554   -0.9419    1.5396 H   0  0  0  0  0  0  0  0  0 17
    3.7291   -0.2331    2.0506 H   0  0  0  0  0  0  0  0  0 18
    2.5852    1.1275    2.1496 H   0  0  0  0  0  0  0  0  0 19
    1.8918    2.1492   -1.3112 H   0  0  0  0  0  0  0  0  0 20
    1.7537    0.6290   -2.2274 H   0  0  0  0  0  0  0  0  0 21
    5.7516    0.9637    1.7502 H   0  0  0  0  0  0  0  0  0 22
    4.8720   -1.8062    0.7420 H   0  0  0  0  0  0  0  0  0 23
    5.5228   -2.2335   -0.8590 H   0  0  0  0  0  0  0  0  0 24
    0.3463   -0.1244   -0.5853 H   0  0  0  0  0  0  0  0  0 25
    0.7118    1.2784    0.4481 H   0  0  0  0  0  0  0  0  0 26
    6.3810   -0.0122   -1.1487 H   0  0  0  0  0  0  0  0  0 27
    6.9848   -0.7127    0.3725 H   0  0  0  0  0  0  0  0  0 28
    4.1332    2.5534   -2.1482 H   0  0  0  0  0  0  0  0  0 29
    3.9741    1.0825   -3.1372 H   0  0  0  0  0  0  0  0  0 30
    5.3874    1.2930   -2.0763 H   0  0  0  0  0  0  0  0  0 31
    3.6833   -2.6123   -2.2486 H   0  0  0  0  0  0  0  0  0 32
    4.2582   -1.1284   -3.0453 H   0  0  0  0  0  0  0  0  0 33
    2.5270   -1.3324   -2.6864 H   0  0  0  0  0  0  0  0  0 34
    7.5501    1.8281    0.2929 H   0  0  0  0  0  0  0  0  0 35
    6.2783    3.0380    0.5858 H   0  0  0  0  0  0  0  0  0 36
    6.3528    2.1850   -0.9745 H   0  0  0  0  0  0  0  0  0 37
    2.9962   -3.4189   -0.5797 H   0  0  0  0  0  0  0  0  0 38
    1.6681   -3.0749    0.7172 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 12  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  2 13  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 10  1  0  0  0
  4 17  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 10  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 11  1  0  0  0
  7 14  1  0  0  0
  7 22  1  0  0  0
  8 15  2  0  0  0
  9 11  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
519743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
316

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAYAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
QQWUXXGYAQMTAT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(=C)C3CCC2(C1C3)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2(C(=C)C3CCC2(C1C3)C)C

> <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>
5

> <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  12  3
2  13  3
3  5  3
4  5  3
7  14  3

$$$$