6432852
 OpenBabel05082101102D

 29 28  0  0  0  0  0  0  0  0999 V2000
    8.9282    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0700    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 11  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  8  1  0  0  0  0
  7  9  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 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  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>
6432852

>  <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>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAACIAChSgAAAAAAgAAAICAEAAAgAABIAAQAAAAAAgAAIAAMICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-dec-6-enal

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-6-decenal

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-dec-6-enal

>  <PUBCHEM_IUPAC_NAME>
(Z)-dec-6-enal

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-dec-6-enal

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-dec-6-enal

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h4-5,10H,2-3,6-9H2,1H3/b5-4-

>  <PUBCHEM_IUPAC_INCHIKEY>
BHAHVSKDYRPNIR-PLNGDYQASA-N

>  <PUBCHEM_XLOGP3_AA>
2.9

>  <PUBCHEM_EXACT_MASS>
154.135765

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC=CCCCCC=O

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

$$$$
