106157
 OpenBabel05082101102D

110109  0  0  1  0  0  0  0  0999 V2000
   12.3923    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    4.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1244    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2708   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_COMPOUND_CID>
106157

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
462

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
29

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCwgAMCCAAABACAAiBCAAAAAAAgAAAACAAAAAgQAAIAAQAiAAAEgAAMAAOAwOAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyl-dodecane

>  <PUBCHEM_IUPAC_CAS_NAME>
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyldodecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyldodecane

>  <PUBCHEM_IUPAC_NAME>
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyldodecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyl-dodecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[3,7-dimethyl-1-(11-methyldodecoxy)oct-6-enoxy]-11-methyl-dodecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C36H72O2/c1-32(2)25-20-16-12-8-10-14-18-22-29-37-36(31-35(7)28-24-27-34(5)6)38-30-23-19-15-11-9-13-17-21-26-33(3)4/h27,32-33,35-36H,8-26,28-31H2,1-7H3

>  <PUBCHEM_IUPAC_INCHIKEY>
IOROHSYUWTZOFC-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
15.4

>  <PUBCHEM_EXACT_MASS>
536.553232

>  <PUBCHEM_MOLECULAR_FORMULA>
C36H72O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
537

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CCCCCCCCCCOC(CC(C)CCC=C(C)C)OCCCCCCCCCCC(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CCCCCCCCCCOC(CC(C)CCC=C(C)C)OCCCCCCCCCCC(C)C

>  <PUBCHEM_CACTVS_TPSA>
18.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
536.553232

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
38

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
3  25  3

$$$$
