1268143
  DSViewer          3D                             0

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.3635   -2.2943   -0.4210 O   0  0  0  0  0  0  0  0  0  1
    5.2714    0.1223   -0.3794 C   0  0  0  0  0  0  0  0  0  2
    4.3604   -0.3707    0.7632 C   0  0  1  0  0  0  0  0  0  3
    4.3448    1.3110   -0.4657 C   0  0  2  0  0  0  0  0  0  4
    4.0142    1.1108    1.1023 C   0  0  0  0  0  0  0  0  0  5
    3.0477   -1.0998    0.2994 C   0  0  1  0  0  0  0  0  0  6
    3.1058    0.9254   -1.3740 C   0  0  0  0  0  0  0  0  0  7
    2.2230   -0.0402   -0.5163 C   0  0  0  0  0  0  0  0  0  8
    6.6600    0.5357    0.1515 C   0  0  0  0  0  0  0  0  0  9
    5.3983   -0.7194   -1.6890 C   0  0  0  0  0  0  0  0  0 10
    2.1641   -1.4817    1.5018 C   0  0  0  0  0  0  0  0  0 11
    4.9542   -0.9270    1.5010 H   0  0  0  0  0  0  0  0  0 12
    4.8938    2.2170   -0.7565 H   0  0  0  0  0  0  0  0  0 13
    2.9826    1.3016    1.3980 H   0  0  0  0  0  0  0  0  0 14
    4.6901    1.6091    1.7973 H   0  0  0  0  0  0  0  0  0 15
    2.5401    1.8181   -1.6409 H   0  0  0  0  0  0  0  0  0 16
    3.4433    0.4239   -2.2810 H   0  0  0  0  0  0  0  0  0 17
    1.5470   -0.5726   -1.1854 H   0  0  0  0  0  0  0  0  0 18
    1.6430    0.5581    0.1864 H   0  0  0  0  0  0  0  0  0 19
    7.2791    0.8786   -0.6774 H   0  0  0  0  0  0  0  0  0 20
    7.1360   -0.3201    0.6302 H   0  0  0  0  0  0  0  0  0 21
    6.5470    1.3411    0.8773 H   0  0  0  0  0  0  0  0  0 22
    6.0794   -0.2199   -2.3779 H   0  0  0  0  0  0  0  0  0 23
    4.4178   -0.8171   -2.1551 H   0  0  0  0  0  0  0  0  0 24
    5.7863   -1.7093   -1.4490 H   0  0  0  0  0  0  0  0  0 25
    1.9106   -0.5846    2.0665 H   0  0  0  0  0  0  0  0  0 26
    2.7056   -2.1748    2.1457 H   0  0  0  0  0  0  0  0  0 27
    1.2499   -1.9564    1.1453 H   0  0  0  0  0  0  0  0  0 28
    2.5271   -2.7303   -0.7157 H   0  0  0  0  0  0  0  0  0 29
  6  1  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6  8  1  0  0  0
  6 11  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>
1268143

> <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>
AAADceBwIAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAAAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4R,5R)-4,6,6-trimethyl-4-bicyclo[3.1.1]heptanol

> <PUBCHEM_IUPAC_NAME>
(1S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YYWZKGZIIKPPJZ-QXFUBDJGSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CCC(C1C2)(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]1(CC[C@H]2C[C@@H]1C2(C)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>
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>
6  1  6
3  12  5
4  13  6

$$$$
