19775
  DSViewer          3D                             0

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M  END
> <PUBCHEM_COMPOUND_CID>
19775

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
159

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,10-trimethylpentadecane

> <PUBCHEM_IUPAC_CAS_NAME>
2,6,10-trimethylpentadecane

> <PUBCHEM_IUPAC_NAME>
2,6,10-trimethylpentadecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6,10-trimethylpentadecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,10-trimethylpentadecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
LBWPYRZGHYVSEL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
9.1

> <PUBCHEM_EXACT_MASS>
254.297

> <PUBCHEM_MOLECULAR_FORMULA>
C18H38

> <PUBCHEM_MOLECULAR_WEIGHT>
254.494

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC(C)CCCC(C)CCCC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC(C)CCCC(C)CCCC(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
254.297

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  11  3
3  12  3

$$$$