6428553
  DSViewer          3D                             0

 27 26  0  0  0  0  0  0  0  0999 V2000
   -0.3017    1.8160    0.0014 O   0  0  0  0  0  0  0  0  0  1
    8.3017    0.0007    0.0015 C   0  0  0  0  0  0  0  0  0  2
    6.9778   -0.7821   -0.0001 C   0  0  0  0  0  0  0  0  0  3
    9.4764   -0.9954    0.0004 C   0  0  0  0  0  0  0  0  0  4
    5.7888    0.1955    0.0010 C   0  0  0  0  0  0  0  0  0  5
   10.8081   -0.2238    0.0018 C   0  0  0  0  0  0  0  0  0  6
    4.5140   -0.5949   -0.0008 C   0  0  0  0  0  0  0  0  0  7
    3.3354    0.0219   -0.0003 C   0  0  0  0  0  0  0  0  0  8
    2.1062   -0.7741   -0.0020 C   0  0  0  0  0  0  0  0  0  9
    0.9141   -0.1818   -0.0015 C   0  0  0  0  0  0  0  0  0 10
    0.8106    1.2774    0.0009 C   0  0  0  0  0  0  0  0  0 11
    8.3552    0.6288   -0.8877 H   0  0  0  0  0  0  0  0  0 12
    8.3546    0.6262    0.8926 H   0  0  0  0  0  0  0  0  0 13
    6.9297   -1.4080   -0.8911 H   0  0  0  0  0  0  0  0  0 14
    6.9291   -1.4106    0.8891 H   0  0  0  0  0  0  0  0  0 15
    9.4202   -1.6232    0.8896 H   0  0  0  0  0  0  0  0  0 16
    9.4207   -1.6207   -0.8907 H   0  0  0  0  0  0  0  0  0 17
    5.8303    0.8218    0.8921 H   0  0  0  0  0  0  0  0  0 18
    5.8310    0.8245   -0.8882 H   0  0  0  0  0  0  0  0  0 19
   11.6380   -0.9304    0.0010 H   0  0  0  0  0  0  0  0  0 20
   10.8652    0.4018    0.8926 H   0  0  0  0  0  0  0  0  0 21
   10.8656    0.4044   -0.8872 H   0  0  0  0  0  0  0  0  0 22
    4.5537   -1.6842   -0.0024 H   0  0  0  0  0  0  0  0  0 23
    3.2850    1.1107    0.0014 H   0  0  0  0  0  0  0  0  0 24
    2.1680   -1.8623   -0.0038 H   0  0  0  0  0  0  0  0  0 25
    0.0085   -0.7885   -0.0028 H   0  0  0  0  0  0  0  0  0 26
    1.7131    1.8887    0.0022 H   0  0  0  0  0  0  0  0  0 27
  1 11  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  7  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6428553

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
134

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAACIAChSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgYMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z,4E)-deca-2,4-dienal

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z,4E)-deca-2,4-dienal

> <PUBCHEM_IUPAC_NAME>
(2Z,4E)-deca-2,4-dienal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z,4E)-deca-2,4-dienal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z,4E)-deca-2,4-dienal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8-

> <PUBCHEM_IUPAC_INCHIKEY>
JZQKTMZYLHNFPL-MUIOLIGRSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CC=CC=O

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

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
152.12

> <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>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$