16913
  -OEChem-04262403482D

 32 33  0     1  0  0  0  0  0999 V2000
    2.5314   -1.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7788   -0.6847    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3010    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0376    0.2812    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4061   -1.2767    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0640   -0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1777   -1.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4365   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200   -1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055    2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874    1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969   -2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0236   -0.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697    0.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -0.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9828   -1.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7717   -1.3713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0305   -0.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6315    0.3610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211   -1.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3595   -2.2495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -1.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221    2.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703    2.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889    2.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    2.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    1.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883   -2.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -2.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055   -2.1400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  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  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  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>
16913

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
221

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,7,7-tetramethylnorbornan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

> <PUBCHEM_IUPAC_NAME>
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,7,7-tetramethylnorbornan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
LFYXNXGVLGKVCJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
168.151415257

> <PUBCHEM_MOLECULAR_FORMULA>
C11H20O

> <PUBCHEM_MOLECULAR_WEIGHT>
168.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC1(C(C2)(C)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC1(C(C2)(C)O)C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.151415257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
2  9  3
4  8  3
5  12  3

$$$$