62367
  DSViewer          3D                             0

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.6912   -1.9504   -1.0435 O   0  0  0  0  0  0  0  0  0  1
    3.8759    0.5269    0.3064 C   0  0  3  0  0  0  0  0  0  2
    4.2201   -0.8737    0.4640 C   0  0  3  0  0  0  0  0  0  3
    4.3439    0.0887    1.7398 C   0  0  0  0  0  0  0  0  0  4
    2.9502   -1.7048    0.3383 C   0  0  3  0  0  0  0  0  0  5
    2.3178    0.5643    0.1315 C   0  0  0  0  0  0  0  0  0  6
    4.7180    1.5546   -0.4912 C   0  0  0  0  0  0  0  0  0  7
    1.9083   -0.7220    0.9016 C   0  0  0  0  0  0  0  0  0  8
    3.0005   -3.0318    1.1153 C   0  0  0  0  0  0  0  0  0  9
    6.2262    1.3541   -0.2245 C   0  0  0  0  0  0  0  0  0 10
    4.3211    2.9773   -0.0552 C   0  0  0  0  0  0  0  0  0 11
    5.1756   -1.2379    0.0606 H   0  0  0  0  0  0  0  0  0 12
    5.3198    0.3849    2.1246 H   0  0  0  0  0  0  0  0  0 13
    3.6335    0.0199    2.5637 H   0  0  0  0  0  0  0  0  0 14
    1.8848    1.4570    0.5828 H   0  0  0  0  0  0  0  0  0 15
    2.0306    0.5117   -0.9187 H   0  0  0  0  0  0  0  0  0 16
    4.5194    1.4340   -1.5652 H   0  0  0  0  0  0  0  0  0 17
    0.8901   -1.0301    0.6639 H   0  0  0  0  0  0  0  0  0 18
    2.0087   -0.5984    1.9799 H   0  0  0  0  0  0  0  0  0 19
    3.1987   -2.8299    2.1679 H   0  0  0  0  0  0  0  0  0 20
    3.7938   -3.6604    0.7108 H   0  0  0  0  0  0  0  0  0 21
    2.0446   -3.5466    1.0184 H   0  0  0  0  0  0  0  0  0 22
    6.7971    2.0866   -0.7950 H   0  0  0  0  0  0  0  0  0 23
    6.5190    0.3491   -0.5287 H   0  0  0  0  0  0  0  0  0 24
    6.4282    1.4848    0.8386 H   0  0  0  0  0  0  0  0  0 25
    4.9097    3.7061   -0.6123 H   0  0  0  0  0  0  0  0  0 26
    4.5107    3.0970    1.0115 H   0  0  0  0  0  0  0  0  0 27
    3.2617    3.1370   -0.2556 H   0  0  0  0  0  0  0  0  0 28
    1.8241   -2.4193   -1.1362 H   0  0  0  0  0  0  0  0  0 29
  1  5  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 12  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  6  8  1  0  0  0
  6 15  1  0  0  0
  6 16  1  0  0  0
  7 10  1  0  0  0
  7 11  1  0  0  0
  7 17  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62367

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
187

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYAAAAAwAAAAAAAAAAAAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwNAPgAAAAAAAAADAAAAAAAAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanol

> <PUBCHEM_IUPAC_NAME>
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
KXSDPILWMGFJMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C12CCC(C1C2)(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C12CCC(C1C2)(C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
2  7  3
3  12  3
5  9  3

$$$$
