103212
 OpenBabel05082101102D

 41 41  0  0  1  0  0  0  0  0999 V2000
    2.4608   -0.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    0.1508    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6092    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1092   -0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    0.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060   -0.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1092   -0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1970    1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0214    1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    0.0997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3693    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.5694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9470    1.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032    0.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1402    1.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3606    0.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5028   -0.9292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740   -1.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8149   -0.7568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946   -0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4736   -1.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6986    1.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5614    2.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6954    1.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5230    1.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6570    2.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5198    1.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    0.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9590    0.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1777    1.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5535    1.2067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    1.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    0.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0133   -1.6765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -2.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2262   -1.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
103212

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
240

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-2-pentanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol

>  <PUBCHEM_IUPAC_NAME>
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NGYMOTOXXHCHOC-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.9

>  <PUBCHEM_EXACT_MASS>
210.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
210.36

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(C1(C)C)CCC(C)C(C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CCC(C1(C)C)CCC(C)C(C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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>
13  1  3
11  14  3
2  4  3

$$$$
