10353
 OpenBabel05082101102D

 31 31  0  0  0  0  0  0  0  0999 V2000
    3.0000    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1340   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1340   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 31  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 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
10353

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
121

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAOgAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-methylcyclohexyl)propan-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(4-methylcyclohexyl)-2-propanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-methylcyclohexyl)propan-2-ol

>  <PUBCHEM_IUPAC_NAME>
2-(4-methylcyclohexyl)propan-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-methylcyclohexyl)propan-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-methylcyclohexyl)propan-2-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
UODXCYZDMHPIJE-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
156.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
156.26

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(CC1)C(C)(C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC(CC1)C(C)(C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
156.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <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

$$$$
