5364919
 OpenBabel05082101102D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.5369   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    0.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  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  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5364919

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
39.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAFAAAAQAAEAAAAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-2-penten-1-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_NAME>
(Z)-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-pent-2-en-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-

>  <PUBCHEM_IUPAC_INCHIKEY>
BTSIZIIPFNVMHF-ARJAWSKDSA-N

>  <PUBCHEM_XLOGP3_AA>
0.9

>  <PUBCHEM_EXACT_MASS>
86.073165

>  <PUBCHEM_MOLECULAR_FORMULA>
C5H10O

>  <PUBCHEM_MOLECULAR_WEIGHT>
86.13

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCC=CCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC/C=C\CO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
86.073165

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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

$$$$
