5365872
  DSViewer          3D                             0

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M  END
> <PUBCHEM_COMPOUND_CID>
5365872

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
394

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgABAIAAQAAQAAEgAAIEAIAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(6E,10E)-3,7,11,15-tetramethyl-3-hexadeca-1,6,10,14-tetraenol

> <PUBCHEM_IUPAC_NAME>
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+

> <PUBCHEM_IUPAC_INCHIKEY>
IQDXAJNQKSIPGB-HQSZAHFGSA-N

> <PUBCHEM_XLOGP3_AA>
6.4

> <PUBCHEM_EXACT_MASS>
290.261

> <PUBCHEM_MOLECULAR_FORMULA>
C20H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.483

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.261

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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  1  3

$$$$