15406
  DSViewer          3D                             0

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.9331   -1.9192   -0.1668 O   0  0  0  0  0  0  0  0  0  1
    5.3634   -1.0829   -0.6312 C   0  0  3  0  0  0  0  0  0  2
    4.8399    1.0374   -0.2230 C   0  0  3  0  0  0  0  0  0  3
    3.5653    0.3722    0.1604 C   0  0  0  0  0  0  0  0  0  4
    4.0540   -1.1296    0.2513 C   0  0  3  0  0  0  0  0  0  5
    5.0955    0.0044   -1.5501 C   0  0  0  0  0  0  0  0  0  6
    6.5938   -0.3811    0.1385 C   0  0  0  0  0  0  0  0  0  7
    6.2283    1.1232    0.2716 C   0  0  0  0  0  0  0  0  0  8
    5.8137   -2.4791   -1.0923 C   0  0  0  0  0  0  0  0  0  9
    2.7593    0.8142    1.4006 C   0  0  0  0  0  0  0  0  0 10
    2.6813    0.6250   -1.1056 C   0  0  0  0  0  0  0  0  0 11
    4.9257    0.5810    0.7721 H   0  0  0  0  0  0  0  0  0 12
    4.4532   -1.4826    1.2131 H   0  0  0  0  0  0  0  0  0 13
    5.9443    0.2812   -2.1754 H   0  0  0  0  0  0  0  0  0 14
    4.2159   -0.1455   -2.1762 H   0  0  0  0  0  0  0  0  0 15
    6.7239   -0.8258    1.1251 H   0  0  0  0  0  0  0  0  0 16
    7.5126   -0.4960   -0.4365 H   0  0  0  0  0  0  0  0  0 17
    6.8528    1.7576   -0.3575 H   0  0  0  0  0  0  0  0  0 18
    6.2789    1.4712    1.3033 H   0  0  0  0  0  0  0  0  0 19
    6.7175   -2.3894   -1.6949 H   0  0  0  0  0  0  0  0  0 20
    5.0245   -2.9377   -1.6880 H   0  0  0  0  0  0  0  0  0 21
    6.0189   -3.1014   -0.2211 H   0  0  0  0  0  0  0  0  0 22
    1.8663    0.1962    1.4935 H   0  0  0  0  0  0  0  0  0 23
    2.4678    1.8589    1.2917 H   0  0  0  0  0  0  0  0  0 24
    3.3739    0.7002    2.2936 H   0  0  0  0  0  0  0  0  0 25
    1.6974    0.1802   -0.9571 H   0  0  0  0  0  0  0  0  0 26
    3.1558    0.1734   -1.9768 H   0  0  0  0  0  0  0  0  0 27
    2.5740    1.6978   -1.2661 H   0  0  0  0  0  0  0  0  0 28
    2.1950   -1.8370    0.4858 H   0  0  0  0  0  0  0  0  0 29
  1  5  1  0  0  0
  1 29  1  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3  8  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 11  1  0  0  0
  5 13  1  0  0  0
  6 14  1  0  0  0
  6 15  1  0  0  0
  7  8  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>
15406

> <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>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,3-trimethylnorbornan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,4-trimethyl-3-bicyclo[2.2.1]heptanol

> <PUBCHEM_IUPAC_NAME>
2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,3-trimethylnorbornan-2-ol

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

> <PUBCHEM_IUPAC_INCHIKEY>
IAIHUHQCLTYTSF-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>
CC1(C2CCC(C2)(C1O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CCC(C2)(C1O)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>
5  1  3
2  9  3
3  4  3

$$$$
