439711
  DSViewer          3D                             0

 29 30  0  0  0  0  0  0  0  0999 V2000
    6.8351    0.5960   -1.4600 O   0  0  0  0  0  0  0  0  0  1
    4.5754    1.1780   -0.3700 C   0  0  2  0  0  0  0  0  0  2
    4.3059   -0.6789    0.8137 C   0  0  1  0  0  0  0  0  0  3
    5.7449   -0.8842    0.2320 C   0  0  0  0  0  0  0  0  0  4
    5.9446    0.5359   -0.3384 C   0  0  1  0  0  0  0  0  0  5
    4.1806    0.8092    1.1669 C   0  0  0  0  0  0  0  0  0  6
    3.5549    0.5114   -1.2481 C   0  0  0  0  0  0  0  0  0  7
    3.2814   -0.7338   -0.3974 C   0  0  0  0  0  0  0  0  0  8
    4.7018    2.6769   -0.6888 C   0  0  0  0  0  0  0  0  0  9
    6.9314   -1.0818    1.1964 C   0  0  0  0  0  0  0  0  0 10
    5.6162   -2.1224   -0.7123 C   0  0  0  0  0  0  0  0  0 11
    4.0337   -1.4518    1.5454 H   0  0  0  0  0  0  0  0  0 12
    6.3483    1.1517    0.4780 H   0  0  0  0  0  0  0  0  0 13
    4.8986    1.1559    1.9101 H   0  0  0  0  0  0  0  0  0 14
    3.1769    1.1181    1.4588 H   0  0  0  0  0  0  0  0  0 15
    2.6621    1.1240   -1.3741 H   0  0  0  0  0  0  0  0  0 16
    3.9621    0.2563   -2.2264 H   0  0  0  0  0  0  0  0  0 17
    3.4421   -1.6364   -0.9870 H   0  0  0  0  0  0  0  0  0 18
    2.2568   -0.7196   -0.0259 H   0  0  0  0  0  0  0  0  0 19
    3.7104    3.1294   -0.7091 H   0  0  0  0  0  0  0  0  0 20
    5.1782    2.8032   -1.6611 H   0  0  0  0  0  0  0  0  0 21
    5.3064    3.1622    0.0773 H   0  0  0  0  0  0  0  0  0 22
    6.5843   -2.3373   -1.1645 H   0  0  0  0  0  0  0  0  0 23
    4.8892   -1.9084   -1.4958 H   0  0  0  0  0  0  0  0  0 24
    5.2850   -2.9864   -0.1362 H   0  0  0  0  0  0  0  0  0 25
    7.8493   -1.2088    0.6226 H   0  0  0  0  0  0  0  0  0 26
    6.7599   -1.9681    1.8073 H   0  0  0  0  0  0  0  0  0 27
    7.0249   -0.2085    1.8419 H   0  0  0  0  0  0  0  0  0 28
    7.7149    0.2198   -1.2155 H   0  0  0  0  0  0  0  0  0 29
  5  1  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 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
439711

> <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>
(1S,2S,4R)-1,3,3-trimethylnorbornan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,3S,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanol

> <PUBCHEM_IUPAC_NAME>
(1R,3S,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,3S,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,4R)-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/t7-,8-,10+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IAIHUHQCLTYTSF-MRTMQBJTSA-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>
C[C@]12CC[C@H](C1)C([C@H]2O)(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>
3

> <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  6
2  9  6
3  12  5

$$$$
