15267
  DSViewer          3D                             0

 50 49  0  0  0  0  0  0  0  0999 V2000
    6.7063    0.8704    0.3197 C   0  0  0  0  0  0  0  0  0  1
    5.4296    0.2062   -0.2246 C   0  0  0  0  0  0  0  0  0  2
    7.9469    0.1707   -0.2621 C   0  0  0  0  0  0  0  0  0  3
    4.2010    0.9162    0.3698 C   0  0  0  0  0  0  0  0  0  4
    9.2127    0.8541    0.2843 C   0  0  0  0  0  0  0  0  0  5
    2.9149    0.2706   -0.1726 C   0  0  0  0  0  0  0  0  0  6
   10.4632    0.1642   -0.2873 C   0  0  0  0  0  0  0  0  0  7
    1.6938    0.9873    0.4342 C   0  0  0  0  0  0  0  0  0  8
   11.7208    0.8631    0.2587 C   0  0  0  0  0  0  0  0  0  9
    0.3932    0.3606   -0.1056 C   0  0  0  0  0  0  0  0  0 10
   12.9774    0.1800   -0.3071 C   0  0  0  0  0  0  0  0  0 11
   14.2305    0.8889    0.2363 C   0  0  0  0  0  0  0  0  0 12
   -0.8161    1.0923    0.5037 C   0  0  0  0  0  0  0  0  0 13
    0.3329   -1.1322    0.2778 C   0  0  0  0  0  0  0  0  0 14
   15.4906    0.2089   -0.3277 C   0  0  0  0  0  0  0  0  0 15
   16.7434    0.9220    0.2131 C   0  0  0  0  0  0  0  0  0 16
    6.7169    1.9222    0.0338 H   0  0  0  0  0  0  0  0  0 17
    6.7214    0.7887    1.4065 H   0  0  0  0  0  0  0  0  0 18
    5.4094    0.2901   -1.3112 H   0  0  0  0  0  0  0  0  0 19
    5.4161   -0.8460    0.0594 H   0  0  0  0  0  0  0  0  0 20
    7.9441   -0.8794    0.0300 H   0  0  0  0  0  0  0  0  0 21
    7.9319    0.2459   -1.3494 H   0  0  0  0  0  0  0  0  0 22
    4.2210    0.8259    1.4559 H   0  0  0  0  0  0  0  0  0 23
    4.2221    1.9699    0.0919 H   0  0  0  0  0  0  0  0  0 24
    9.2126    1.9039   -0.0089 H   0  0  0  0  0  0  0  0  0 25
    9.2235    0.7800    1.3717 H   0  0  0  0  0  0  0  0  0 26
    2.8901    0.3641   -1.2583 H   0  0  0  0  0  0  0  0  0 27
    2.8924   -0.7839    0.1024 H   0  0  0  0  0  0  0  0  0 28
   10.4700   -0.8840    0.0118 H   0  0  0  0  0  0  0  0  0 29
   10.4518    0.2321   -1.3751 H   0  0  0  0  0  0  0  0  0 30
    1.7193    0.8875    1.5194 H   0  0  0  0  0  0  0  0  0 31
    1.7245    2.0431    0.1651 H   0  0  0  0  0  0  0  0  0 32
   11.7119    1.9112   -0.0405 H   0  0  0  0  0  0  0  0  0 33
   11.7299    0.7953    1.3466 H   0  0  0  0  0  0  0  0  0 34
    0.3676    0.4588   -1.2006 H   0  0  0  0  0  0  0  0  0 35
   12.9908   -0.8666   -0.0031 H   0  0  0  0  0  0  0  0  0 36
   12.9669    0.2427   -1.3952 H   0  0  0  0  0  0  0  0  0 37
   14.2160    1.9356   -0.0674 H   0  0  0  0  0  0  0  0  0 38
   14.2402    0.8259    1.3244 H   0  0  0  0  0  0  0  0  0 39
   -1.7375    0.6513    0.1237 H   0  0  0  0  0  0  0  0  0 40
   -0.7789    2.1468    0.2301 H   0  0  0  0  0  0  0  0  0 41
   -0.7894    0.9979    1.5893 H   0  0  0  0  0  0  0  0  0 42
   -0.5885   -1.5696   -0.1064 H   0  0  0  0  0  0  0  0  0 43
    0.3560   -1.2303    1.3632 H   0  0  0  0  0  0  0  0  0 44
    1.1885   -1.6530   -0.1520 H   0  0  0  0  0  0  0  0  0 45
   15.5071   -0.8370   -0.0213 H   0  0  0  0  0  0  0  0  0 46
   15.4797    0.2691   -1.4160 H   0  0  0  0  0  0  0  0  0 47
   17.6365    0.4411   -0.1858 H   0  0  0  0  0  0  0  0  0 48
   16.7547    0.8623    1.3014 H   0  0  0  0  0  0  0  0  0 49
   16.7272    1.9680   -0.0929 H   0  0  0  0  0  0  0  0  0 50
  1  2  1  0  0  0
  1  3  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  5  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  6  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  7  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  8  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  9  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 15  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 16 50  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15267

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
115

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methylpentadecane

> <PUBCHEM_IUPAC_CAS_NAME>
2-methylpentadecane

> <PUBCHEM_IUPAC_NAME>
2-methylpentadecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methylpentadecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylpentadecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
BANXPJUEBPWEOT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
8.6

> <PUBCHEM_EXACT_MASS>
226.266

> <PUBCHEM_MOLECULAR_FORMULA>
C16H34

> <PUBCHEM_MOLECULAR_WEIGHT>
226.441

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.266

> <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>
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

$$$$
