95337
  DSViewer          3D                             0

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    7.8721    1.2747   -0.2315 C   0  0  0  0  0  0  0  0  0  3
    5.3648    1.3035   -0.2201 C   0  0  0  0  0  0  0  0  0  4
    9.1480    0.5268    0.2025 C   0  0  0  0  0  0  0  0  0  5
    4.0449    0.6475    0.2323 C   0  0  0  0  0  0  0  0  0  6
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    6.6381    0.3784    1.3059 H   0  0  0  0  0  0  0  0  0 18
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    5.3584    1.3855   -1.3070 H   0  0  0  0  0  0  0  0  0 22
    9.1555    0.4196    1.2872 H   0  0  0  0  0  0  0  0  0 23
    9.1667   -0.4596   -0.2608 H   0  0  0  0  0  0  0  0  0 24
    3.9790   -0.3566   -0.1866 H   0  0  0  0  0  0  0  0  0 25
    4.0254    0.5896    1.3206 H   0  0  0  0  0  0  0  0  0 26
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M  END
> <PUBCHEM_COMPOUND_CID>
95337

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
134

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADQCggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwOAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hexyldecan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-hexyl-1-decanol

> <PUBCHEM_IUPAC_NAME>
2-hexyldecan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-hexyldecan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hexyldecan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XULHFMYCBKQGEE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7

> <PUBCHEM_EXACT_MASS>
242.261

> <PUBCHEM_MOLECULAR_FORMULA>
C16H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
242.441

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC(CCCCCC)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC(CCCCCC)CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
242.261

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
2  18  3

$$$$