12311396
  -OEChem-04182408042D

 39 41  0     1  0  0  0  0  0999 V2000
    5.5776   -0.4478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7608   -0.3626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9010    0.5945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1598   -0.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8724   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9794    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3807    1.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144   -2.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5761   -0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6236   -2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740    2.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642   -2.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726   -1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3588    1.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9717   -0.0467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810    1.4155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -1.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0216   -1.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6467   -2.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594    2.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9473    2.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -2.6505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -2.3695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    0.1175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1952   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428   -1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312   -2.6705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2840    2.6967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871   -2.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7721   -1.7827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8846   -2.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527   -1.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8606   -0.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4878    1.6448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    0.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2300    0.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  1  0  0  0
  3  7  1  0  0  0  0
  3 17  1  6  0  0  0
  4  8  1  0  0  0  0
  4 18  1  1  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  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
 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>
12311396

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAgQAAABgwAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>S</I>,7<I>R</I>,8<I>R</I>)-2,6,6,9-tetramethyltricyclo[5.4.0.0<SUP>2,8</SUP>]undec-9-ene

> <PUBCHEM_IUPAC_NAME>
(1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HICYDYJTCDBHMZ-COMQUAJESA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
204.187800766

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.35

> <PUBCHEM_REFERENCE_STANDARDIZATION>
Bypass - this structure was created from CID 12311396

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2C3C1C2(CCCC3(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@@H]2[C@@H]3[C@H]1[C@]2(CCCC3(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>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  10  5
2  16  5
3  17  6
4  18  5

$$$$