5281365
  -OEChem-04252411202D

 55 54  0     0  0  0  0  0  0999 V2000
    2.5369    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4432   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6832   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7033   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9303    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0833    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9073   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1473   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
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 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
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 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  2  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
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 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281365

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADACggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,6E,10E)-3,7,11,15-tetramethyl-1-hexadeca-2,6,10,14-tetraenol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>,6<I>E</I>,10<I>E</I>)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

> <PUBCHEM_IUPAC_NAME>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+

> <PUBCHEM_IUPAC_INCHIKEY>
OJISWRZIEWCUBN-QIRCYJPOSA-N

> <PUBCHEM_XLOGP3_AA>
6.6

> <PUBCHEM_EXACT_MASS>
290.260965704

> <PUBCHEM_MOLECULAR_FORMULA>
C20H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.5

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

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.260965704

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <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

$$$$