5352147
  DSViewer          3D                             0

 42 41  0  0  0  0  0  0  0  0999 V2000
    1.2448   -4.4929    0.4055 O   0  0  0  0  0  0  0  0  0  1
    2.7387   -2.5169    0.2296 C   0  0  3  0  0  0  0  0  0  2
    4.1476   -2.1402   -0.3698 C   0  0  0  0  0  0  0  0  0  3
    4.6667   -0.7865    0.0669 C   0  0  0  0  0  0  0  0  0  4
    5.9153   -0.4103   -0.1630 C   0  0  0  0  0  0  0  0  0  5
    2.4371   -3.9816   -0.2035 C   0  0  0  0  0  0  0  0  0  6
    1.6034   -1.5210   -0.2072 C   0  0  0  0  0  0  0  0  0  7
    6.3630    0.9678    0.2669 C   0  0  0  0  0  0  0  0  0  8
    7.8405    1.2173   -0.0900 C   0  0  0  0  0  0  0  0  0  9
    6.8804   -1.3389   -0.8664 C   0  0  0  0  0  0  0  0  0 10
    0.3746   -2.0267   -0.9279 C   0  0  0  0  0  0  0  0  0 11
    8.1934    2.6409    0.2458 C   0  0  0  0  0  0  0  0  0 12
    1.6219   -0.2413    0.1411 C   0  0  0  0  0  0  0  0  0 13
    9.4350    3.0971    0.0838 C   0  0  0  0  0  0  0  0  0 14
    9.7504    4.5279    0.4115 C   0  0  0  0  0  0  0  0  0 15
   10.5224    2.1908   -0.4273 C   0  0  0  0  0  0  0  0  0 16
    2.8536   -2.4586    1.3211 H   0  0  0  0  0  0  0  0  0 17
    4.8656   -2.8984   -0.0573 H   0  0  0  0  0  0  0  0  0 18
    4.0676   -2.1410   -1.4569 H   0  0  0  0  0  0  0  0  0 19
    3.9940   -0.1028    0.5848 H   0  0  0  0  0  0  0  0  0 20
    3.2772   -4.6129    0.0859 H   0  0  0  0  0  0  0  0  0 21
    2.3172   -4.0093   -1.2866 H   0  0  0  0  0  0  0  0  0 22
    5.7465    1.7132   -0.2354 H   0  0  0  0  0  0  0  0  0 23
    6.2388    1.0600    1.3459 H   0  0  0  0  0  0  0  0  0 24
    8.4738    0.5395    0.4824 H   0  0  0  0  0  0  0  0  0 25
    7.9928    1.0450   -1.1555 H   0  0  0  0  0  0  0  0  0 26
    7.8507   -0.8515   -0.9610 H   0  0  0  0  0  0  0  0  0 27
    6.4968   -1.5791   -1.8581 H   0  0  0  0  0  0  0  0  0 28
    6.9900   -2.2560   -0.2877 H   0  0  0  0  0  0  0  0  0 29
   -0.2903   -1.1905   -1.1441 H   0  0  0  0  0  0  0  0  0 30
   -0.1445   -2.7496   -0.2985 H   0  0  0  0  0  0  0  0  0 31
    0.6713   -2.5051   -1.8613 H   0  0  0  0  0  0  0  0  0 32
    7.4216    3.3094    0.6274 H   0  0  0  0  0  0  0  0  0 33
    2.4404    0.1467    0.7474 H   0  0  0  0  0  0  0  0  0 34
    0.8185    0.4223   -0.1788 H   0  0  0  0  0  0  0  0  0 35
    1.0844   -5.4170    0.0855 H   0  0  0  0  0  0  0  0  0 36
   10.8058    4.7211    0.2193 H   0  0  0  0  0  0  0  0  0 37
    9.5326    4.7170    1.4627 H   0  0  0  0  0  0  0  0  0 38
    9.1422    5.1860   -0.2091 H   0  0  0  0  0  0  0  0  0 39
   11.4587    2.7454   -0.4899 H   0  0  0  0  0  0  0  0  0 40
   10.2529    1.8212   -1.4167 H   0  0  0  0  0  0  0  0  0 41
   10.6444    1.3487    0.2539 H   0  0  0  0  0  0  0  0  0 42
  1  6  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5  8  1  0  0  0
  5 10  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 11  1  0  0  0
  7 13  2  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 12  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 14  2  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
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 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5352147

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
267

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADQCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEwAAIAAIAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4Z)-2-isopropenyl-5,9-dimethyl-deca-4,8-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(4Z)-5,9-dimethyl-2-(1-methylethenyl)-1-deca-4,8-dienol

> <PUBCHEM_IUPAC_NAME>
(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4Z)-5,9-dimethyl-2-prop-1-en-2-yl-deca-4,8-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4Z)-2-isopropenyl-5,9-dimethyl-deca-4,8-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9-

> <PUBCHEM_IUPAC_INCHIKEY>
JTSPVWIYQLSMER-ZROIWOOFSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCC(CO)C(=C)C)C)C

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
2  17  3

$$$$
