13918681
  DSViewer          3D                             0

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7208    2.3414    1.2149 O   0  0  0  0  0  0  0  0  0  1
    2.8386   -0.8633   -0.3115 C   0  0  1  0  0  0  0  0  0  2
    4.1381   -0.0366   -0.3106 C   0  0  0  0  0  0  0  0  0  3
    3.7909    1.2991   -0.9526 C   0  0  0  0  0  0  0  0  0  4
    2.9256    2.0647    0.0610 C   0  0  1  0  0  0  0  0  0  5
    3.0501   -2.2350    0.3653 C   0  0  0  0  0  0  0  0  0  6
    1.7187   -0.0976    0.3712 C   0  0  0  0  0  0  0  0  0  7
    1.7455    1.2319    0.5131 C   0  0  0  0  0  0  0  0  0  8
    2.4460    3.4052   -0.5233 C   0  0  0  0  0  0  0  0  0  9
    1.7401   -3.0431    0.3029 C   0  0  0  0  0  0  0  0  0 10
    3.4619   -2.0420    1.8390 C   0  0  0  0  0  0  0  0  0 11
    2.5412   -1.0349   -1.3548 H   0  0  0  0  0  0  0  0  0 12
    4.4890    0.1147    0.7102 H   0  0  0  0  0  0  0  0  0 13
    4.9097   -0.5447   -0.8891 H   0  0  0  0  0  0  0  0  0 14
    4.7004    1.8595   -1.1689 H   0  0  0  0  0  0  0  0  0 15
    3.2342    1.1385   -1.8759 H   0  0  0  0  0  0  0  0  0 16
    3.8417   -2.7829   -0.1655 H   0  0  0  0  0  0  0  0  0 17
    0.8634   -0.6509    0.7591 H   0  0  0  0  0  0  0  0  0 18
    0.8906    1.7315    0.9686 H   0  0  0  0  0  0  0  0  0 19
    1.8356    3.2194   -1.4070 H   0  0  0  0  0  0  0  0  0 20
    3.3089    4.0113   -0.7993 H   0  0  0  0  0  0  0  0  0 21
    1.8533    3.9357    0.2220 H   0  0  0  0  0  0  0  0  0 22
    1.8872   -4.0119    0.7802 H   0  0  0  0  0  0  0  0  0 23
    1.4533   -3.1914   -0.7382 H   0  0  0  0  0  0  0  0  0 24
    0.9516   -2.4987    0.8225 H   0  0  0  0  0  0  0  0  0 25
    3.6083   -3.0157    2.3064 H   0  0  0  0  0  0  0  0  0 26
    2.6779   -1.4999    2.3679 H   0  0  0  0  0  0  0  0  0 27
    4.3909   -1.4737    1.8858 H   0  0  0  0  0  0  0  0  0 28
    4.4991    2.8940    0.9527 H   0  0  0  0  0  0  0  0  0 29
  5  1  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7 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>
13918681

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
160

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAACBCAAAAAAAgAAAICAAAAAgABAIAAQAAUAAEgAAIEAOAwFAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4S)-1-methyl-4-propan-2-yl-1-cyclohex-2-enol

> <PUBCHEM_IUPAC_NAME>
(1S,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IZXYHAXVIZHGJV-VHSXEESVSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1CCC(C=C1)(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[C@@H]1CC[C@](C=C1)(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>
2

> <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

> <PUBCHEM_BONDANNOTATIONS>
5  1  5
2  6  5

$$$$
