8089
  -OEChem-05241312052D

 92 91  0     1  0  0  0  0  0999 V2000
    9.7942   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1244    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    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    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.5885    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    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
   14.1244    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7101   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2085    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9685    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7880   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0526   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6086   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2286    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6726    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  2 32  1  0  0  0  0
  3  8  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  7  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 10  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  9  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 14  1  0  0  0  0
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  9 48  1  0  0  0  0
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 11 21  1  0  0  0  0
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 12 22  1  0  0  0  0
 12 50  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 20  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
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 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
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 19 23  1  0  0  0  0
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 19 66  1  0  0  0  0
 20 24  1  0  0  0  0
 20 67  1  0  0  0  0
 20 68  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 21 74  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 26  1  0  0  0  0
 23 77  1  0  0  0  0
 23 78  1  0  0  0  0
 24 25  1  0  0  0  0
 24 75  1  0  0  0  0
 24 76  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 80  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 79  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 28 84  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 29 87  1  0  0  0  0
 29 88  1  0  0  0  0
 29 89  1  0  0  0  0
 30 90  1  0  0  0  0
 30 91  1  0  0  0  0
 30 92  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8089

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,10,15,19,23-hexamethyltetracosane

> <PUBCHEM_IUPAC_CAS_NAME>
2,6,10,15,19,23-hexamethyltetracosane

> <PUBCHEM_IUPAC_NAME>
2,6,10,15,19,23-hexamethyltetracosane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,10,15,19,23-hexamethyltetracosane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,10,15,19,23-hexamethyltetracosane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3

> <PUBCHEM_IUPAC_INCHIKEY>
PRAKJMSDJKAYCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
14.7

> <PUBCHEM_EXACT_MASS>
422.485152

> <PUBCHEM_MOLECULAR_FORMULA>
C30H62

> <PUBCHEM_MOLECULAR_WEIGHT>
422.81328

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
422.485152

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
1  17  3
11  21  3
12  22  3
2  18  3

$$$$