11467
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.4070    2.4252   -0.9983 O   0  0  0  0  0  0  0  0  0  1
    2.9304    2.2034    0.3299 C   0  0  0  0  0  0  0  0  0  2
    1.6095    1.4289    0.3218 C   0  0  0  0  0  0  0  0  0  3
    3.9354    1.3870    1.1484 C   0  0  0  0  0  0  0  0  0  4
    1.7421    0.0710   -0.3970 C   0  0  0  0  0  0  0  0  0  5
    4.2420    0.0246    0.4921 C   0  0  0  0  0  0  0  0  0  6
    3.0068   -0.6884   -0.0328 C   0  0  0  0  0  0  0  0  0  7
    2.7058    3.5555    1.0292 C   0  0  0  0  0  0  0  0  0  8
    3.0538   -2.0124   -0.2360 C   0  0  0  0  0  0  0  0  0  9
    1.8546   -2.7384   -0.7819 C   0  0  0  0  0  0  0  0  0 10
    4.3031   -2.7851    0.0883 C   0  0  0  0  0  0  0  0  0 11
    1.2981    1.2532    1.3515 H   0  0  0  0  0  0  0  0  0 12
    0.8546    2.0258   -0.1899 H   0  0  0  0  0  0  0  0  0 13
    4.8628    1.9534    1.2336 H   0  0  0  0  0  0  0  0  0 14
    3.5221    1.2141    2.1421 H   0  0  0  0  0  0  0  0  0 15
    4.9250    0.1894   -0.3412 H   0  0  0  0  0  0  0  0  0 16
    4.7203   -0.6153    1.2336 H   0  0  0  0  0  0  0  0  0 17
    0.8824   -0.5445   -0.1322 H   0  0  0  0  0  0  0  0  0 18
    1.7448    0.2491   -1.4723 H   0  0  0  0  0  0  0  0  0 19
    2.3422    3.3852    2.0425 H   0  0  0  0  0  0  0  0  0 20
    1.9697    4.1353    0.4722 H   0  0  0  0  0  0  0  0  0 21
    3.6463    4.1053    1.0688 H   0  0  0  0  0  0  0  0  0 22
    4.2586    2.9284   -0.9612 H   0  0  0  0  0  0  0  0  0 23
    4.1493   -3.8391   -0.1428 H   0  0  0  0  0  0  0  0  0 24
    4.5336   -2.6759    1.1481 H   0  0  0  0  0  0  0  0  0 25
    5.1328   -2.4009   -0.5051 H   0  0  0  0  0  0  0  0  0 26
    2.0838   -3.7997   -0.8769 H   0  0  0  0  0  0  0  0  0 27
    1.5988   -2.3335   -1.7611 H   0  0  0  0  0  0  0  0  0 28
    1.0110   -2.6087   -0.1039 H   0  0  0  0  0  0  0  0  0 29
  1  2  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  3  5  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7  9  2  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11467

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
165

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADESAgAACAAAAAgCAAgBAAAAAAAAgAAAACAAAAAgAAAIAAAAAQAAEgAAIAAOAwAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-isopropylidene-1-methyl-cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-propan-2-ylidene-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME>
1-methyl-4-propan-2-ylidenecyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-propan-2-ylidene-cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-isopropylidene-1-methyl-cyclohexanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NNRLDGQZIVUQTE-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(=C1CCC(CC1)(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C1CCC(CC1)(C)O)C

> <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>
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

$$$$
