61284
 OpenBabel05082101102D

 29 29  0  0  1  0  0  0  0  0999 V2000
    2.4608   -0.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060   -0.2229    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4150   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5028    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6676   -0.6613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086   -1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798   -1.7905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460    0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6664    0.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7794   -1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0044    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8672    1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0012    1.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8288    1.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628    1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8257    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -0.5035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2648    0.2777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4835    0.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -1.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -0.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  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>
61284

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
168

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAQAAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol

>  <PUBCHEM_IUPAC_NAME>
2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NPGPPCSBEMHHCR-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.1

>  <PUBCHEM_EXACT_MASS>
154.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.25

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

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

>  <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>
1

>  <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>
3  6  3

$$$$
