16218441
  -OEChem-04152408162D

 39 41  0     1  0  0  0  0  0999 V2000
    3.8839   -0.3226    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0749    0.2652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3839    1.2162    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8907    0.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6929    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -0.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    1.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427   -1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0194    1.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6017   -0.2215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6566    0.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029   -0.2718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593    0.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903    1.3451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191    1.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746    0.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -0.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    1.3545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642    1.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9014    0.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3466    2.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1219    1.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9553    1.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    2.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    2.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -1.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -1.7354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803   -2.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2481   -2.4443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -2.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9653   -1.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 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>
16218441

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
336

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwQAAAAAAAAEAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,6<I>S</I>)-2,6,8,8-tetramethyltricyclo[5.2.2.0<SUP>1,6</SUP>]undec-2-ene

> <PUBCHEM_IUPAC_NAME>
(1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12?,14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZCJQJJWNFDNQGZ-JQXSQYPDSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC2(C13CCC2C(C3)(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC[C@@]2([C@@]13CCC2C(C3)(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>
2

> <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  9  6
2  10  6
3  7  3

$$$$