112162
 OpenBabel05082101102D

 42 44  0  0  1  0  0  0  0  0999 V2000
    2.6176   -0.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9827    0.1839    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5049    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2416    1.1499    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6100   -0.4081    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2680    0.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6405    0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1874   -1.3144    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6095    3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914    2.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1912   -1.4015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7610   -2.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686   -2.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3384   -3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422   -3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008   -0.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275    0.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906   -0.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0737    1.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1867   -0.9134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9756   -0.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2345    0.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8354    1.2296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8050   -1.2604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2261    3.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6743    3.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929    3.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    3.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    2.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392    1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4532   -0.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2689   -2.4892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994   -1.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607   -1.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302   -2.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843   -3.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9372   -3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803   -3.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5026   -3.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 42  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 17  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 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
112162

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
271

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwYAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAQAADAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(7,7-dimethylnorbornan-2-yl)cyclohexanol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-cyclohexanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_NAME>
2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(7,7-dimethylnorbornan-2-yl)cyclohexanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-15(2)10-7-8-13(15)12(9-10)11-5-3-4-6-14(11)16/h10-14,16H,3-9H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
QXPIZWAQIIGDDU-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.4

>  <PUBCHEM_EXACT_MASS>
222.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
222.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC1C(C2)C3CCCCC3O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC1C(C2)C3CCCCC3O)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

>  <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>
12  1  3
2  7  3
4  8  3
5  6  3
9  13  3

$$$$
