42608159
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    5.0152   -0.6550   -0.7519 C   0  0  3  0  0  0  0  0  0  1
    3.6178   -0.0408   -0.7289 C   0  0  1  0  0  0  0  0  0  2
    3.7500   -0.9631    0.3571 C   0  0  1  0  0  0  0  0  0  3
    6.1600   -0.0835    0.1718 C   0  0  1  0  0  0  0  0  0  4
    3.5136    1.4847   -0.3781 C   0  0  2  0  0  0  0  0  0  5
    5.1419   -2.0873   -1.4104 C   0  0  0  0  0  0  0  0  0  6
    3.4819   -2.4070    0.2257 C   0  0  0  0  0  0  0  0  0  7
    5.9407    1.4638    0.3154 C   0  0  0  0  0  0  0  0  0  8
    4.5255    1.8405    0.7808 C   0  0  0  0  0  0  0  0  0  9
    4.2154   -3.0151   -0.6899 C   0  0  0  0  0  0  0  0  0 10
    2.0736    1.8495    0.0770 C   0  0  0  0  0  0  0  0  0 11
    6.2760   -0.7921    1.5521 C   0  0  0  0  0  0  0  0  0 12
    2.5742   -3.1531    1.1528 C   0  0  0  0  0  0  0  0  0 13
    2.0085    3.3515    0.4118 C   0  0  0  0  0  0  0  0  0 14
    1.0546    1.5495   -1.0440 C   0  0  0  0  0  0  0  0  0 15
    2.9700   -0.4055   -1.5375 H   0  0  0  0  0  0  0  0  0 16
    3.6931   -0.5030    1.3482 H   0  0  0  0  0  0  0  0  0 17
    7.1244   -0.2097   -0.3384 H   0  0  0  0  0  0  0  0  0 18
    3.7712    2.0724   -1.2692 H   0  0  0  0  0  0  0  0  0 19
    4.8664   -2.0350   -2.4637 H   0  0  0  0  0  0  0  0  0 20
    6.1673   -2.4457   -1.3198 H   0  0  0  0  0  0  0  0  0 21
    6.6566    1.8479    1.0421 H   0  0  0  0  0  0  0  0  0 22
    6.1206    1.9293   -0.6537 H   0  0  0  0  0  0  0  0  0 23
    4.4798    2.9082    0.9955 H   0  0  0  0  0  0  0  0  0 24
    4.2705    1.2776    1.6788 H   0  0  0  0  0  0  0  0  0 25
    4.1520   -4.0831   -0.8988 H   0  0  0  0  0  0  0  0  0 26
    1.8148    1.2657    0.9716 H   0  0  0  0  0  0  0  0  0 27
    7.0854   -0.3409    2.1259 H   0  0  0  0  0  0  0  0  0 28
    6.4850   -1.8512    1.4009 H   0  0  0  0  0  0  0  0  0 29
    5.3389   -0.6815    2.0977 H   0  0  0  0  0  0  0  0  0 30
    2.5343   -4.2015    0.8573 H   0  0  0  0  0  0  0  0  0 31
    1.5732   -2.7243    1.1051 H   0  0  0  0  0  0  0  0  0 32
    2.9532   -3.0776    2.1720 H   0  0  0  0  0  0  0  0  0 33
    0.9989    3.6096    0.7314 H   0  0  0  0  0  0  0  0  0 34
    2.2689    3.9330   -0.4727 H   0  0  0  0  0  0  0  0  0 35
    2.7116    3.5763    1.2138 H   0  0  0  0  0  0  0  0  0 36
    0.0526    1.8121   -0.7047 H   0  0  0  0  0  0  0  0  0 37
    1.0874    0.4884   -1.2912 H   0  0  0  0  0  0  0  0  0 38
    1.3034    2.1360   -1.9284 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4  8  1  0  0  0
  4 12  1  0  0  0
  4 18  1  0  0  0
  5  9  1  0  0  0
  5 11  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 10  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 11 14  1  0  0  0
 11 15  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 13 33  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>
42608159

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAQAAAAAwQAAABgAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XUEHVOLRMXNRKQ-PFNKYVCDSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(C2C13C2C(=CC3)C)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@H]([C@H]2C13[C@@H]2C(=CC3)C)C(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>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  16  6
3  17  5
4  12  5
5  11  6

$$$$
