8748
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.5154    3.2959    0.5678 O   0  0  0  0  0  0  0  0  0  1
    3.1634    2.0186    0.0357 C   0  0  0  0  0  0  0  0  0  2
    3.1827   -0.9445    0.2617 C   0  0  0  0  0  0  0  0  0  3
    2.2604    1.2727    1.0502 C   0  0  0  0  0  0  0  0  0  4
    4.4516    1.1901   -0.1980 C   0  0  0  0  0  0  0  0  0  5
    1.8892   -0.1282    0.5078 C   0  0  0  0  0  0  0  0  0  6
    4.0929   -0.2096   -0.7504 C   0  0  0  0  0  0  0  0  0  7
    2.4097    2.2262   -1.3034 C   0  0  0  0  0  0  0  0  0  8
    2.8760   -2.3228   -0.2686 C   0  0  0  0  0  0  0  0  0  9
    1.4517   -2.7825   -0.4225 C   0  0  0  0  0  0  0  0  0 10
    3.8725   -3.1425   -0.5943 C   0  0  0  0  0  0  0  0  0 11
    3.7603   -1.0433    1.1913 H   0  0  0  0  0  0  0  0  0 12
    5.0877    1.7082   -0.9157 H   0  0  0  0  0  0  0  0  0 13
    4.9844    1.0788    0.7464 H   0  0  0  0  0  0  0  0  0 14
    2.7942    1.1631    1.9942 H   0  0  0  0  0  0  0  0  0 15
    1.3493    1.8487    1.2121 H   0  0  0  0  0  0  0  0  0 16
    1.3426   -0.0221   -0.4292 H   0  0  0  0  0  0  0  0  0 17
    5.0060   -0.7851   -0.9024 H   0  0  0  0  0  0  0  0  0 18
    3.5682   -0.1021   -1.6997 H   0  0  0  0  0  0  0  0  0 19
    1.2655   -0.6465    1.2362 H   0  0  0  0  0  0  0  0  0 20
    2.1351    1.2573   -1.7204 H   0  0  0  0  0  0  0  0  0 21
    3.0547    2.7539   -2.0060 H   0  0  0  0  0  0  0  0  0 22
    1.5086    2.8135   -1.1265 H   0  0  0  0  0  0  0  0  0 23
    4.0980    3.7704   -0.0754 H   0  0  0  0  0  0  0  0  0 24
    1.4379   -3.7984   -0.8171 H   0  0  0  0  0  0  0  0  0 25
    0.9276   -2.1190   -1.1104 H   0  0  0  0  0  0  0  0  0 26
    0.9563   -2.7635    0.5482 H   0  0  0  0  0  0  0  0  0 27
    4.9062   -2.8171   -0.4776 H   0  0  0  0  0  0  0  0  0 28
    3.6549   -4.1393   -0.9779 H   0  0  0  0  0  0  0  0  0 29
  1  2  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  3  6  1  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  3 12  1  0  0  0
  4  6  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  7  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  6 17  1  0  0  0
  6 20  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 11  2  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8748

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
152

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAQAAEgAAAAAGAwMAOAAAAAAAAAADAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-(1-methylethenyl)-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME>
1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
RUJPNZNXGCHGID-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

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

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

$$$$
