8748
  -OEChem-09041501082D

 29 29  0     0  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    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    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
    3.7320    0.8170    0.0000 C   0  0  0  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
    3.7320   -0.1830    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
    2.8660   -1.6830    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
    4.3426    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3996    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
    1.3894   -0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -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
    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
    3.9860    2.1830    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
    3.7320   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  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
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  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
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>
154.135765

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.24932

> <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>
154.135765

> <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

$$$$
