6441135
 OpenBabel05082101102D

 34 33  0  0  1  0  0  0  0  0999 V2000
    6.3301   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6441135

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
127

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADBSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAEgAAIEAOAwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-4-methyldec-3-en-5-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(E)-4-methyl-3-decen-5-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-4-methyldec-3-en-5-ol

>  <PUBCHEM_IUPAC_NAME>
(E)-4-methyldec-3-en-5-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-4-methyldec-3-en-5-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-4-methyldec-3-en-5-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3/b10-8+

>  <PUBCHEM_IUPAC_INCHIKEY>
WSTQLNQRVZNEDV-CSKARUKUSA-N

>  <PUBCHEM_XLOGP3_AA>
3.8

>  <PUBCHEM_EXACT_MASS>
170.167065

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H22O

>  <PUBCHEM_MOLECULAR_WEIGHT>
170.29

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC(C(=CCC)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC(/C(=C/CC)/C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.167065

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <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>
4  1  3

$$$$
