122484
 OpenBabel05082101102D

 29 29  0  0  1  0  0  0  0  0999 V2000
    3.3660    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -1.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    2.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  1  1  1  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 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
M  END
>  <PUBCHEM_COMPOUND_CID>
122484

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
160

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAACBCAAAAAAAgAAAICAAAAAgABAIAAQAAUAAEgAAIEAOAwFAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(1R,4S)-1-methyl-4-propan-2-yl-1-cyclohex-2-enol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,4<I>S</I>)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
(1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
IZXYHAXVIZHGJV-UWVGGRQHSA-N

>  <PUBCHEM_XLOGP3_AA>
2.3

>  <PUBCHEM_EXACT_MASS>
154.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1CCC(C=C1)(C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[C@@H]1CC[C@@](C=C1)(C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.135765

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

>  <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  6  6

$$$$
