83763
 OpenBabel05082101102D

 31 31  0  0  0  0  0  0  0  0999 V2000
    2.0000   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 31  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  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  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  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
  8 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>
83763

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
101

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADQCggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAOgAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-isopropylcyclohexyl)methanol

>  <PUBCHEM_IUPAC_CAS_NAME>
(4-propan-2-ylcyclohexyl)methanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(4-propan-2-ylcyclohexyl)methanol

>  <PUBCHEM_IUPAC_NAME>
(4-propan-2-ylcyclohexyl)methanol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-propan-2-ylcyclohexyl)methanol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-isopropylcyclohexyl)methanol

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

>  <PUBCHEM_IUPAC_INCHIKEY>
KHWTYGFHPHRQMP-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3

>  <PUBCHEM_EXACT_MASS>
156.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
156.26

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1CCC(CC1)CO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1CCC(CC1)CO

>  <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

$$$$
