19773
  DSViewer          3D                             0

 47 46  0  0  0  0  0  0  0  0999 V2000
    6.1221    0.1467    0.0149 C   0  0  3  0  0  0  0  0  0  1
    7.3954    1.0113    0.0579 C   0  0  0  0  0  0  0  0  0  2
    4.8950    1.0766    0.0502 C   0  0  0  0  0  0  0  0  0  3
    8.6521    0.1244    0.0497 C   0  0  0  0  0  0  0  0  0  4
    9.8973    1.0302    0.0276 C   0  0  0  0  0  0  0  0  0  5
    3.5949    0.2568   -0.0063 C   0  0  0  0  0  0  0  0  0  6
   11.1788    0.1778    0.0633 C   0  0  3  0  0  0  0  0  0  7
    2.3948    1.2178    0.0868 C   0  0  0  0  0  0  0  0  0  8
    6.1081   -0.6918   -1.2833 C   0  0  0  0  0  0  0  0  0  9
    1.0757    0.4316   -0.0358 C   0  0  0  0  0  0  0  0  0 10
   12.4052    1.1123    0.0323 C   0  0  0  0  0  0  0  0  0 11
   11.2127   -0.7660   -1.1591 C   0  0  0  0  0  0  0  0  0 12
   -0.1096    1.4086    0.0685 C   0  0  0  0  0  0  0  0  0 13
    0.9780   -0.6130    1.0939 C   0  0  0  0  0  0  0  0  0 14
   13.7017    0.2814    0.0800 C   0  0  0  0  0  0  0  0  0 15
    6.0995   -0.5258    0.8850 H   0  0  0  0  0  0  0  0  0 16
    7.4133    1.6660   -0.8134 H   0  0  0  0  0  0  0  0  0 17
    7.3884    1.6141    0.9660 H   0  0  0  0  0  0  0  0  0 18
    4.9123    1.6581    0.9720 H   0  0  0  0  0  0  0  0  0 19
    4.9312    1.7505   -0.8057 H   0  0  0  0  0  0  0  0  0 20
    8.6674   -0.4977    0.9446 H   0  0  0  0  0  0  0  0  0 21
    8.6460   -0.5115   -0.8355 H   0  0  0  0  0  0  0  0  0 22
    9.8896    1.6297   -0.8827 H   0  0  0  0  0  0  0  0  0 23
    9.8788    1.6879    0.8966 H   0  0  0  0  0  0  0  0  0 24
    3.5504   -0.2940   -0.9457 H   0  0  0  0  0  0  0  0  0 25
    3.5679   -0.4440    0.8281 H   0  0  0  0  0  0  0  0  0 26
   11.1949   -0.4190    0.9867 H   0  0  0  0  0  0  0  0  0 27
    2.4192    1.7329    1.0472 H   0  0  0  0  0  0  0  0  0 28
    2.4550    1.9486   -0.7196 H   0  0  0  0  0  0  0  0  0 29
    5.2062   -1.3031   -1.3119 H   0  0  0  0  0  0  0  0  0 30
    6.9854   -1.3383   -1.3084 H   0  0  0  0  0  0  0  0  0 31
    6.1229   -0.0263   -2.1465 H   0  0  0  0  0  0  0  0  0 32
    1.0457   -0.0783   -1.0096 H   0  0  0  0  0  0  0  0  0 33
   12.3874    1.7009   -0.8849 H   0  0  0  0  0  0  0  0  0 34
   12.3723    1.7796    0.8936 H   0  0  0  0  0  0  0  0  0 35
   12.1214   -1.3672   -1.1296 H   0  0  0  0  0  0  0  0  0 36
   11.1980   -0.1755   -2.0753 H   0  0  0  0  0  0  0  0  0 37
   10.3426   -1.4223   -1.1364 H   0  0  0  0  0  0  0  0  0 38
   -1.0452    0.8562   -0.0179 H   0  0  0  0  0  0  0  0  0 39
   -0.0469    2.1437   -0.7340 H   0  0  0  0  0  0  0  0  0 40
   -0.0770    1.9187    1.0312 H   0  0  0  0  0  0  0  0  0 41
    0.0425   -1.1644    0.9997 H   0  0  0  0  0  0  0  0  0 42
    1.0060   -0.1082    2.0596 H   0  0  0  0  0  0  0  0  0 43
    1.8163   -1.3060    1.0222 H   0  0  0  0  0  0  0  0  0 44
   14.5628    0.9492    0.0578 H   0  0  0  0  0  0  0  0  0 45
   13.7379   -0.3861   -0.7809 H   0  0  0  0  0  0  0  0  0 46
   13.7229   -0.3075    0.9970 H   0  0  0  0  0  0  0  0  0 47
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  9  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  6  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  7  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  8  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 11  1  0  0  0
  7 12  1  0  0  0
  7 27  1  0  0  0
  8 10  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
 10 33  1  0  0  0
 11 15  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19773

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
126

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,10-trimethyldodecane

> <PUBCHEM_IUPAC_CAS_NAME>
2,6,10-trimethyldodecane

> <PUBCHEM_IUPAC_NAME>
2,6,10-trimethyldodecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,10-trimethyldodecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,10-trimethyldodecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
YFHFHLSMISYUAQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.5

> <PUBCHEM_EXACT_MASS>
212.25

> <PUBCHEM_MOLECULAR_FORMULA>
C15H32

> <PUBCHEM_MOLECULAR_WEIGHT>
212.415

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)CCCC(C)CCCC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)CCCC(C)CCCC(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.25

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  9  3
7  12  3

$$$$
