11062802
 OpenBabel05082101102D

 32 33  0  0  1  0  0  0  0  0999 V2000
    6.0757   -1.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284   -0.6847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3062    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5696    0.2812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2011   -1.2767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5431   -0.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294   -1.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0872   -1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016    2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197    1.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103   -2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496    1.1023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7374    0.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1289   -0.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -1.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8355   -1.3713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757    0.3610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -1.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2477   -2.2495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883   -1.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    2.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1368    2.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8182    2.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9675    2.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861    1.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4719    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6189   -2.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920   -2.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017   -2.1400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071   -1.4422    0.0000 H   0  0  0  0  0  0  0  0  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  1  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  6  0  0  0
  5  1  1  1  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>
11062802

>  <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>
(1R,2R,4R)-1,2,7,7-tetramethylnorbornan-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,4R)-1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,4<I>R</I>)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

>  <PUBCHEM_IUPAC_NAME>
(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,4R)-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/t8-,10-,11-/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
LFYXNXGVLGKVCJ-FBIMIBRVSA-N

>  <PUBCHEM_XLOGP3_AA>
2.7

>  <PUBCHEM_EXACT_MASS>
168.151415

>  <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>
C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(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>
3

>  <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>
5  1  5
2  9  5
4  13  6

$$$$
