90350
  -OEChem-04182408222D

 29 30  0     1  0  0  0  0  0999 V2000
    2.4750   -0.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4647   -0.0417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7235    0.9242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9869    1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   -0.9074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146   -0.3482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7297    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2786   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2447   -0.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9435    1.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3047    2.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3738    1.9988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6852    1.2330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.6968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9612    0.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0397   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2666    0.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4197    1.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8267   -1.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6736   -1.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9006   -0.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6590   -1.9284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3002   -2.5264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982   -1.8852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  1  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  6  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  6  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
90350

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
174

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,3<I>S</I>,5<I>R</I>)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

> <PUBCHEM_IUPAC_NAME>
(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
REPVLJRCJUVQFA-KZVJFYERSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
154.135765193

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2CC(C2(C)C)CC1O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.135765193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
8  1  5
3  12  5
4  13  6
6  11  6

$$$$