1549107
  DSViewer          3D                             0

 42 41  0  0  0  0  0  0  0  0999 V2000
   -0.2316   -4.1332    0.0035 O   0  0  0  0  0  0  0  0  0  1
    7.1706    0.4785    0.0010 C   0  0  0  0  0  0  0  0  0  2
    4.6331   -0.9644   -0.0019 C   0  0  0  0  0  0  0  0  0  3
    7.1158   -1.0377    0.0045 C   0  0  0  0  0  0  0  0  0  4
    3.4965   -2.0152   -0.0003 C   0  0  0  0  0  0  0  0  0  5
    8.6486    0.9369    0.0022 C   0  0  0  0  0  0  0  0  0  6
    5.9512   -1.6872    0.0032 C   0  0  0  0  0  0  0  0  0  7
    2.1357   -1.3525   -0.0069 C   0  0  0  0  0  0  0  0  0  8
    8.3926   -1.8358    0.0095 C   0  0  0  0  0  0  0  0  0  9
    8.7482    2.4371    0.0000 C   0  0  0  0  0  0  0  0  0 10
    9.9451    3.0277   -0.0011 C   0  0  0  0  0  0  0  0  0 11
    2.0222    0.1477   -0.0155 C   0  0  0  0  0  0  0  0  0 12
    1.0267   -2.0920   -0.0053 C   0  0  0  0  0  0  0  0  0 13
    1.0953   -3.5968    0.0033 C   0  0  0  0  0  0  0  0  0 14
   10.0413    4.5256   -0.0030 C   0  0  0  0  0  0  0  0  0 15
   11.2042    2.2000   -0.0005 C   0  0  0  0  0  0  0  0  0 16
    6.6723    0.8587   -0.8907 H   0  0  0  0  0  0  0  0  0 17
    6.6697    0.8628    0.8896 H   0  0  0  0  0  0  0  0  0 18
    4.5581   -0.3432   -0.8944 H   0  0  0  0  0  0  0  0  0 19
    4.5546   -0.3368    0.8858 H   0  0  0  0  0  0  0  0  0 20
    3.5908   -2.6415   -0.8875 H   0  0  0  0  0  0  0  0  0 21
    3.5860   -2.6336    0.8928 H   0  0  0  0  0  0  0  0  0 22
    9.1413    0.5485    0.8935 H   0  0  0  0  0  0  0  0  0 23
    9.1435    0.5458   -0.8868 H   0  0  0  0  0  0  0  0  0 24
    5.9550   -2.7772    0.0061 H   0  0  0  0  0  0  0  0  0 25
    8.1565   -2.8999    0.0114 H   0  0  0  0  0  0  0  0  0 26
    8.9713   -1.5909    0.9002 H   0  0  0  0  0  0  0  0  0 27
    8.9756   -1.5951   -0.8795 H   0  0  0  0  0  0  0  0  0 28
    7.8421    3.0430   -0.0006 H   0  0  0  0  0  0  0  0  0 29
    0.9703    0.4330   -0.0194 H   0  0  0  0  0  0  0  0  0 30
    2.5089    0.5443   -0.9066 H   0  0  0  0  0  0  0  0  0 31
    2.5051    0.5542    0.8731 H   0  0  0  0  0  0  0  0  0 32
    0.0542   -1.5998   -0.0102 H   0  0  0  0  0  0  0  0  0 33
    1.6229   -3.9316    0.8964 H   0  0  0  0  0  0  0  0  0 34
    1.6266   -3.9415   -0.8839 H   0  0  0  0  0  0  0  0  0 35
   12.0726    2.8587   -0.0016 H   0  0  0  0  0  0  0  0  0 36
   11.0899    4.8229   -0.0037 H   0  0  0  0  0  0  0  0  0 37
    9.5522    4.9227    0.8865 H   0  0  0  0  0  0  0  0  0 38
    9.5516    4.9205   -0.8932 H   0  0  0  0  0  0  0  0  0 39
   11.2258    1.5697   -0.8896 H   0  0  0  0  0  0  0  0  0 40
   11.2263    1.5719    0.8902 H   0  0  0  0  0  0  0  0  0 41
   -0.1899   -5.1224    0.0092 H   0  0  0  0  0  0  0  0  0 42
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  1 42  1  0  0  0
  2  4  1  0  0  0
  2  6  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  5  1  0  0  0
  3  7  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  7  2  0  0  0
  4  9  1  0  0  0
  5  8  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6 10  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  8 12  1  0  0  0
  8 13  2  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 15  1  0  0  0
 11 16  1  0  0  0
 12 30  1  0  0  0
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 13 14  1  0  0  0
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 16 40  1  0  0  0
 16 41  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1549107

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
265

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADACggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z,6Z)-3,7,11-trimethyl-1-dodeca-2,6,10-trienol

> <PUBCHEM_IUPAC_NAME>
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

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

> <PUBCHEM_IUPAC_INCHIKEY>
CRDAMVZIKSXKFV-FBXUGWQNSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C\CC/C(=C\CO)/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>
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>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
