10453
  DSViewer          3D                             0

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M  END
> <PUBCHEM_COMPOUND_CID>
10453

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
259

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADUSAgAACAAAAAgCAACBCAAAAAAAgAAAIAAAAAAgABAIAAAAAQAAEgAAAEAGAwPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3,7,11,15-tetramethyl-1-hexadecen-3-ol

> <PUBCHEM_IUPAC_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,7,11,15-tetramethylhexadec-1-en-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
KEVYVLWNCKMXJX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.8

> <PUBCHEM_EXACT_MASS>
296.308

> <PUBCHEM_MOLECULAR_FORMULA>
C20H40O

> <PUBCHEM_MOLECULAR_WEIGHT>
296.531

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

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.308

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  22  3
3  23  3

$$$$
