106672
 OpenBabel05082101102D

 32 33  0  0  1  0  0  0  0  0999 V2000
    2.7320    1.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0675   -0.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4402   -0.2274    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6990    0.7385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7255    0.1202    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9624    1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8391   -0.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0979    0.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    0.5429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1929   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583   -1.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4583   -0.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850    0.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666    0.7389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2802    2.2535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3492    1.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6442   -1.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4331   -0.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6919    0.0519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    0.8182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    0.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -0.7620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506   -1.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4934   -1.8465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6497   -1.9194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3766   -2.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -1.6828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444    0.4772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921   -0.3863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556   -0.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    1.8011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  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  8  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
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
106672

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
185

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(3,3-dimethylnorbornan-2-yl)ethanol

>  <PUBCHEM_IUPAC_CAS_NAME>
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

>  <PUBCHEM_IUPAC_NAME>
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(3,3-dimethylnorbornan-2-yl)ethanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h7-10,12H,4-6H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DLLWYTGUPJUVGW-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
168.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
168.28

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1C2CCC(C2)C1(C)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1C2CCC(C2)C1(C)C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <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>
9  1  3
5  2  3
3  7  3
4  8  3

$$$$
