6438069
 OpenBabel05082101102D

 32 32  0  0  1  0  0  0  0  0999 V2000
    2.4608   -1.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -1.4806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4118   -2.0684    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0298   -2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8189    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -1.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -2.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962   -2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -1.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3273   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238   -0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5499    1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1649    0.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5635    1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7408    3.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3423    2.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1289    2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3558    3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5089    3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6438069

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
140

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAEAIAAQAAQAAEgAAIAAOAwCAOAAAAAAAAAAAAAAAAAAAAAAAABAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(E)-hex-2-enyl]cyclopentanol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-[(E)-hex-2-enyl]-1-cyclopentanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(<I>E</I>)-hex-2-enyl]cyclopentan-1-ol

>  <PUBCHEM_IUPAC_NAME>
2-[(E)-hex-2-enyl]cyclopentan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(E)-hex-2-enyl]cyclopentan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(E)-hex-2-enyl]cyclopentanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h4-5,10-12H,2-3,6-9H2,1H3/b5-4+

>  <PUBCHEM_IUPAC_INCHIKEY>
OLPVLAJYJZWXPZ-SNAWJCMRSA-N

>  <PUBCHEM_XLOGP3_AA>
3

>  <PUBCHEM_EXACT_MASS>
168.151415

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H20O

>  <PUBCHEM_MOLECULAR_WEIGHT>
168.28

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC=CCC1CCCC1O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCC/C=C/CC1CCCC1O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.151415

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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  1  3
2  7  3

$$$$
