92108
  -OEChem-05062414072D

 28 29  0     0  0  0  0  0  0999 V2000
    3.7147   -0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2369    0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1137   -1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725   -0.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559   -1.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    1.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234    1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   -0.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187   -2.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7076   -1.6752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636   -1.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -0.7092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674    0.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -0.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -0.8441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570   -1.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954   -2.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0548   -2.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9581    1.8897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    2.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248    2.0193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    1.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7570    1.6189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712    0.8003    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  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92108

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
147

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,7,7-trimethylnorbornane

> <PUBCHEM_IUPAC_CAS_NAME>
1,7,7-trimethylbicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,7,7-trimethylbicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
1,7,7-trimethylbicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,7,7-trimethylbicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bornane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
BEWYHVAWEKZDPP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
138.140850574

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18

> <PUBCHEM_MOLECULAR_WEIGHT>
138.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC1(CC2)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC1(CC2)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
138.140850574

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$