88301
 OpenBabel05082101102D

 27 28  0  0  1  0  0  0  0  0999 V2000
    2.0159   -1.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    1.4990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0501    0.5330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5723    2.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    1.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3150    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9490   -0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    3.0139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    2.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    1.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250    0.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520    1.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    1.5788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -0.6342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2590   -0.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4859   -0.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0962   -1.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -1.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -2.4816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  6  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  1  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
88301

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
203

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAEgAAIEAOAwHAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

>  <PUBCHEM_IUPAC_CAS_NAME>
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[(1<I>R</I>,5<I>S</I>)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

>  <PUBCHEM_IUPAC_NAME>
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
RXBQNMWIQKOSCS-IUCAKERBSA-N

>  <PUBCHEM_XLOGP3_AA>
1.6

>  <PUBCHEM_EXACT_MASS>
152.120115

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

>  <PUBCHEM_MOLECULAR_WEIGHT>
152.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC=C(C1C2)CO)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@H]2CC=C([C@@H]1C2)CO)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.120115

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

>  <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>
3  12  6
4  13  5

$$$$
