64685
  DSViewer          3D                             0

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.2680   -1.8620   -0.5537 O   0  0  0  0  0  0  0  0  0  1
    4.5699   -0.9644   -0.6357 C   0  0  3  0  0  0  0  0  0  2
    4.0598    0.5304   -0.6237 C   0  0  0  0  0  0  0  0  0  3
    4.0761    0.4979    0.9512 C   0  0  3  0  0  0  0  0  0  4
    3.4828   -1.7157    0.1899 C   0  0  3  0  0  0  0  0  0  5
    5.8810   -0.8771    0.1738 C   0  0  0  0  0  0  0  0  0  6
    3.2012   -0.7386    1.3493 C   0  0  0  0  0  0  0  0  0  7
    5.5455    0.1504    1.2540 C   0  0  0  0  0  0  0  0  0  8
    4.8182   -1.6506   -1.9897 C   0  0  0  0  0  0  0  0  0  9
    5.0606    1.5400   -1.2298 C   0  0  0  0  0  0  0  0  0 10
    2.6683    0.8047   -1.2486 C   0  0  0  0  0  0  0  0  0 11
    3.7746    1.4094    1.4851 H   0  0  0  0  0  0  0  0  0 12
    3.8044   -2.7202    0.4965 H   0  0  0  0  0  0  0  0  0 13
    6.1348   -1.8411    0.6146 H   0  0  0  0  0  0  0  0  0 14
    6.7057   -0.5343   -0.4511 H   0  0  0  0  0  0  0  0  0 15
    3.5174   -1.1564    2.3051 H   0  0  0  0  0  0  0  0  0 16
    2.1443   -0.4766    1.3986 H   0  0  0  0  0  0  0  0  0 17
    6.1823    1.0310    1.1693 H   0  0  0  0  0  0  0  0  0 18
    5.6496   -0.2794    2.2503 H   0  0  0  0  0  0  0  0  0 19
    5.1644   -2.6705   -1.8227 H   0  0  0  0  0  0  0  0  0 20
    5.5753   -1.0967   -2.5448 H   0  0  0  0  0  0  0  0  0 21
    3.8910   -1.6714   -2.5625 H   0  0  0  0  0  0  0  0  0 22
    4.6374    2.5434   -1.1848 H   0  0  0  0  0  0  0  0  0 23
    5.2593    1.2763   -2.2686 H   0  0  0  0  0  0  0  0  0 24
    5.9919    1.5134   -0.6640 H   0  0  0  0  0  0  0  0  0 25
    2.4397    1.8679   -1.1752 H   0  0  0  0  0  0  0  0  0 26
    1.9101    0.2328   -0.7136 H   0  0  0  0  0  0  0  0  0 27
    2.6752    0.5066   -2.2970 H   0  0  0  0  0  0  0  0  0 28
    1.5811   -2.2813    0.0195 H   0  0  0  0  0  0  0  0  0 29
  1  5  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 11  1  0  0  0
  4  7  1  0  0  0
  4  8  1  0  0  0
  4 12  1  0  0  0
  5  7  1  0  0  0
  5 13  1  0  0  0
  6  8  1  0  0  0
  6 14  1  0  0  0
  6 15  1  0  0  0
  7 16  1  0  0  0
  7 17  1  0  0  0
  8 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>
64685

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
185

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAIAABAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,7,7-trimethylnorbornan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
4,7,7-trimethyl-3-bicyclo[2.2.1]heptanol

> <PUBCHEM_IUPAC_NAME>
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,7,7-trimethylnorbornan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
DTGKSKDOIYIVQL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.7

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC1(C(C2)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC1(C(C2)O)C)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>
3

> <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  9  3
4  12  3
5  13  3

$$$$
