643779
  DSViewer          3D                             0

 27 26  0  0  0  0  0  0  0  0999 V2000
    0.4593   -2.8582   -0.0006 O   0  0  0  0  0  0  0  0  0  1
    3.9159   -0.7107    0.0003 C   0  0  0  0  0  0  0  0  0  2
    5.3521   -0.1496    0.0004 C   0  0  0  0  0  0  0  0  0  3
    3.9412   -2.2223   -0.0003 C   0  0  0  0  0  0  0  0  0  4
    5.3090    1.3526    0.0010 C   0  0  0  0  0  0  0  0  0  5
    6.4376    2.0628    0.0010 C   0  0  0  0  0  0  0  0  0  6
    5.2508   -2.9643   -0.0006 C   0  0  0  0  0  0  0  0  0  7
    2.7989   -2.9090   -0.0006 C   0  0  0  0  0  0  0  0  0  8
    6.3743    3.5623    0.0016 C   0  0  0  0  0  0  0  0  0  9
    7.7750    1.3715    0.0005 C   0  0  0  0  0  0  0  0  0 10
    1.5123   -2.2108   -0.0003 C   0  0  0  0  0  0  0  0  0 11
    3.3935   -0.3606    0.8906 H   0  0  0  0  0  0  0  0  0 12
    3.3934   -0.3599   -0.8897 H   0  0  0  0  0  0  0  0  0 13
    5.8766   -0.4972    0.8904 H   0  0  0  0  0  0  0  0  0 14
    5.8765   -0.4965   -0.8899 H   0  0  0  0  0  0  0  0  0 15
    4.3473    1.8658    0.0013 H   0  0  0  0  0  0  0  0  0 16
    5.0609   -4.0376   -0.0010 H   0  0  0  0  0  0  0  0  0 17
    5.8206   -2.6971    0.8894 H   0  0  0  0  0  0  0  0  0 18
    5.8206   -2.6964   -0.8903 H   0  0  0  0  0  0  0  0  0 19
    7.3855    3.9691    0.0015 H   0  0  0  0  0  0  0  0  0 20
    5.8459    3.9039    0.8917 H   0  0  0  0  0  0  0  0  0 21
    5.8456    3.9045   -0.8881 H   0  0  0  0  0  0  0  0  0 22
    8.5700    2.1171    0.0006 H   0  0  0  0  0  0  0  0  0 23
    7.8621    0.7484   -0.8896 H   0  0  0  0  0  0  0  0  0 24
    7.8625    0.7477    0.8901 H   0  0  0  0  0  0  0  0  0 25
    2.8229   -3.9987   -0.0010 H   0  0  0  0  0  0  0  0  0 26
    1.4829   -1.1212    0.0001 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  7  1  0  0  0
  4  8  2  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 11  1  0  0  0
  8 26  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
643779

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
171

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADACggAICAAAAAACIAihSgAAAAAAgAAAACAAAAEgAAAIAAQAAAAAAgAAIAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z)-3,7-dimethylocta-2,6-dienal

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z)-3,7-dimethylocta-2,6-dienal

> <PUBCHEM_IUPAC_NAME>
(2Z)-3,7-dimethylocta-2,6-dienal

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z)-3,7-dimethylocta-2,6-dienal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z)-3,7-dimethylocta-2,6-dienal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-

> <PUBCHEM_IUPAC_INCHIKEY>
WTEVQBCEXWBHNA-YFHOEESVSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
152.12

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16O

> <PUBCHEM_MOLECULAR_WEIGHT>
152.233

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CC=O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C\C=O)/C)C

> <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>
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

$$$$
