39801
  DSViewer          3D                             0

 36 35  0  0  0  0  0  0  0  0999 V2000
    1.9768    0.8481   -0.0003 O   0  0  0  0  0  0  0  0  0  1
    0.8824   -1.1525   -0.0003 O   0  0  0  0  0  0  0  0  0  2
    8.1656   -0.0254    0.0004 C   0  0  0  0  0  0  0  0  0  3
    6.9007    0.8508    0.0002 C   0  0  0  0  0  0  0  0  0  4
    9.4060    0.8861    0.0004 C   0  0  0  0  0  0  0  0  0  5
    5.6446   -0.0388    0.0001 C   0  0  0  0  0  0  0  0  0  6
   10.6833    0.0289    0.0005 C   0  0  0  0  0  0  0  0  0  7
    4.3957    0.8610   -0.0001 C   0  0  0  0  0  0  0  0  0  8
   11.9135    0.9544    0.0005 C   0  0  0  0  0  0  0  0  0  9
    3.1248   -0.0055   -0.0001 C   0  0  0  0  0  0  0  0  0 10
   13.1654    0.1274    0.0007 C   0  0  0  0  0  0  0  0  0 11
   14.3556    0.7238    0.0006 C   0  0  0  0  0  0  0  0  0 12
    0.8137    0.0834   -0.0004 C   0  0  0  0  0  0  0  0  0 13
   -0.5263    0.7587   -0.0006 C   0  0  0  0  0  0  0  0  0 14
    8.1743   -0.6543    0.8906 H   0  0  0  0  0  0  0  0  0 15
    8.1744   -0.6545   -0.8897 H   0  0  0  0  0  0  0  0  0 16
    6.8973    1.4799    0.8903 H   0  0  0  0  0  0  0  0  0 17
    6.8975    1.4798   -0.8900 H   0  0  0  0  0  0  0  0  0 18
    9.3926    1.5150   -0.8898 H   0  0  0  0  0  0  0  0  0 19
    9.3925    1.5152    0.8905 H   0  0  0  0  0  0  0  0  0 20
    5.6422   -0.6679   -0.8900 H   0  0  0  0  0  0  0  0  0 21
    5.6420   -0.6678    0.8903 H   0  0  0  0  0  0  0  0  0 22
   10.7002   -0.5998    0.8907 H   0  0  0  0  0  0  0  0  0 23
   10.7003   -0.6000   -0.8895 H   0  0  0  0  0  0  0  0  0 24
    4.4037    1.4901    0.8901 H   0  0  0  0  0  0  0  0  0 25
    4.4039    1.4899   -0.8902 H   0  0  0  0  0  0  0  0  0 26
   11.8943    1.5831   -0.8897 H   0  0  0  0  0  0  0  0  0 27
   11.8942    1.5832    0.8906 H   0  0  0  0  0  0  0  0  0 28
    3.1118   -0.6344    0.8900 H   0  0  0  0  0  0  0  0  0 29
    3.1120   -0.6345   -0.8902 H   0  0  0  0  0  0  0  0  0 30
   13.1005   -0.9607    0.0008 H   0  0  0  0  0  0  0  0  0 31
   14.4200    1.8119    0.0005 H   0  0  0  0  0  0  0  0  0 32
   15.2658    0.1240    0.0007 H   0  0  0  0  0  0  0  0  0 33
   -1.3136    0.0049   -0.0006 H   0  0  0  0  0  0  0  0  0 34
   -0.6200    1.3811   -0.8905 H   0  0  0  0  0  0  0  0  0 35
   -0.6202    1.3812    0.8893 H   0  0  0  0  0  0  0  0  0 36
  1 10  1  0  0  0
  1 13  1  0  0  0
  2 13  2  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  6  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  9  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 10  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 11  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
39801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
152

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABACIACDSCAAAAAAgAAAIAAAAAAgAAAIAAQACAAAEgAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dec-9-enyl acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid dec-9-enyl ester

> <PUBCHEM_IUPAC_NAME>
dec-9-enyl acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dec-9-enyl ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid dec-9-enyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
PIQXMYAEJSMANF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4

> <PUBCHEM_EXACT_MASS>
198.162

> <PUBCHEM_MOLECULAR_FORMULA>
C12H22O2

> <PUBCHEM_MOLECULAR_WEIGHT>
198.302

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)OCCCCCCCCC=C

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
198.162

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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

$$$$
