13216
 OpenBabel05082101102D

 29 30  0  0  1  0  0  0  0  0999 V2000
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1302   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1302    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6244   -1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   -1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226    1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6244    1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5459   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5459    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  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  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 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>
13216

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
133

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGgAACAAADRSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwLAOgAAAAAAAAABAAAIAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
decalin-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,4,4<I>a</I>,5,6,7,8,8<I>a</I>-decahydronaphthalen-2-ol

>  <PUBCHEM_IUPAC_NAME>
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
decalin-2-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2

>  <PUBCHEM_IUPAC_INCHIKEY>
UPMAOXLCTXPPAG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.9

>  <PUBCHEM_EXACT_MASS>
154.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2CC(CCC2C1)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2CC(CCC2C1)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.135765

>  <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>
8  1  3
2  6  3
3  7  3

$$$$
