99856
  -OEChem-04152408422D

 39 41  0     1  0  0  0  0  0999 V2000
    4.5772   -0.5146    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6841    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772    1.6760    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4782   -0.0807    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6763   -0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538    0.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0772    1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7007    0.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630   -1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9912   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5796    1.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8040    0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2600   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8082    2.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4088   -0.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    1.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952    0.6252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4867   -2.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0609   -1.5192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6358    1.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9393    2.2805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2593    0.6252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    1.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8894   -1.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367   -2.2712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    0.9008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    1.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    1.8664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6630   -0.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077    0.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    1.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8735   -1.1890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7448   -1.0908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466   -0.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0822   -0.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855   -0.5864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178   -1.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 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>
99856

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
334

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYIAAAAwAAAABgAQAACAAAAAGAAAAAAADwCAAAACAAAAAACAAgBAAAAAAAAgAAAACAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene

> <PUBCHEM_IUPAC_CAS_NAME>
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,10,11,11-tetramethyltricyclo[5.3.1.0<SUP>1,5</SUP>]undec-4-ene

> <PUBCHEM_IUPAC_NAME>
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
RTBLDXVIGWSICW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2CC3=C(CCC13C2(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2CC3=C(CCC13C2(C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187800766

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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  7  3
3  8  3
4  14  3

$$$$