11230
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.9484    0.9799    0.9616 O   0  0  0  0  0  0  0  0  0  1
    3.0798    0.9977    0.0625 C   0  0  3  0  0  0  0  0  0  2
    3.5955    2.4568   -0.1640 C   0  0  0  0  0  0  0  0  0  3
    2.6785    0.3528   -1.2587 C   0  0  0  0  0  0  0  0  0  4
    4.2294    0.1691    0.6631 C   0  0  0  0  0  0  0  0  0  5
    2.0821   -1.0465   -0.9672 C   0  0  0  0  0  0  0  0  0  6
    2.8886   -1.8417    0.0475 C   0  0  0  0  0  0  0  0  0  7
    3.8556   -1.2843    0.7842 C   0  0  0  0  0  0  0  0  0  8
    4.8186    2.4330   -1.1058 C   0  0  0  0  0  0  0  0  0  9
    2.5074    3.3515   -0.8013 C   0  0  0  0  0  0  0  0  0 10
    2.5679   -3.2934    0.2512 C   0  0  0  0  0  0  0  0  0 11
    3.8941    2.8852    0.8032 H   0  0  0  0  0  0  0  0  0 12
    1.9333    0.9723   -1.7577 H   0  0  0  0  0  0  0  0  0 13
    3.5551    0.2517   -1.8986 H   0  0  0  0  0  0  0  0  0 14
    5.1041    0.2574    0.0187 H   0  0  0  0  0  0  0  0  0 15
    4.4664    0.5576    1.6535 H   0  0  0  0  0  0  0  0  0 16
    1.0706   -0.9185   -0.5818 H   0  0  0  0  0  0  0  0  0 17
    2.0476   -1.6095   -1.8999 H   0  0  0  0  0  0  0  0  0 18
    4.3937   -1.9060    1.4997 H   0  0  0  0  0  0  0  0  0 19
    2.9013    4.3577   -0.9439 H   0  0  0  0  0  0  0  0  0 20
    1.6386    3.3917   -0.1442 H   0  0  0  0  0  0  0  0  0 21
    2.2142    2.9366   -1.7657 H   0  0  0  0  0  0  0  0  0 22
    5.1768    3.4504   -1.2627 H   0  0  0  0  0  0  0  0  0 23
    4.5322    1.9975   -2.0631 H   0  0  0  0  0  0  0  0  0 24
    5.6114    1.8343   -0.6574 H   0  0  0  0  0  0  0  0  0 25
    1.1850    1.4733    0.5806 H   0  0  0  0  0  0  0  0  0 26
    3.2337   -3.7105    1.0067 H   0  0  0  0  0  0  0  0  0 27
    2.7024   -3.8309   -0.6875 H   0  0  0  0  0  0  0  0  0 28
    1.5345   -3.3947    0.5826 H   0  0  0  0  0  0  0  0  0 29
  1  2  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  3 12  1  0  0  0
  4  6  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  8  1  0  0  0
  5 15  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8 19  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11230

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
170

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEwAAIAAOAgEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-isopropyl-4-methyl-cyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-1-propan-2-yl-1-cyclohex-3-enol

> <PUBCHEM_IUPAC_NAME>
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-1-propan-2-yl-cyclohex-3-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-isopropyl-4-methyl-cyclohex-3-en-1-ol

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

> <PUBCHEM_IUPAC_INCHIKEY>
WRYLYDPHFGVWKC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(CC1)(C(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(CC1)(C(C)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>
1

> <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  3  3

$$$$
