5362620
 OpenBabel05082101102D

 29 28  0  0  0  0  0  0  0  0999 V2000
    2.0000    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  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
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5362620

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
105

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAACIAChSgAAAAAAgAAAICAEAAAgAABIAAQAAAAAAgAAIAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-dec-4-enal

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-4-decenal

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-dec-4-enal

>  <PUBCHEM_IUPAC_NAME>
(Z)-dec-4-enal

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-dec-4-enal

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-dec-4-enal

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-

>  <PUBCHEM_IUPAC_INCHIKEY>
CWRKZMLUDFBPAO-SREVYHEPSA-N

>  <PUBCHEM_XLOGP3_AA>
3.1

>  <PUBCHEM_EXACT_MASS>
154.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CCCC=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC/C=C\CCC=O

>  <PUBCHEM_CACTVS_TPSA>
17.1

>  <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>
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

$$$$
