530418
  DSViewer          3D                             0

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M  END
> <PUBCHEM_COMPOUND_CID>
530418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
188

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,10,14-trimethylpentadecan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
6,10,14-trimethyl-2-pentadecanol

> <PUBCHEM_IUPAC_NAME>
6,10,14-trimethylpentadecan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,10,14-trimethylpentadecan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,10,14-trimethylpentadecan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H38O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-19H,6-14H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
HTUZNQGPJMIELO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.4

> <PUBCHEM_EXACT_MASS>
270.292

> <PUBCHEM_MOLECULAR_FORMULA>
C18H38O

> <PUBCHEM_MOLECULAR_WEIGHT>
270.494

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

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.292

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
16  1  3
2  12  3
3  13  3

$$$$
