Structure database (LMSD)

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LM IDLMFA05000029
Common Name1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Systematic Name1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol
Synonymsheptadeca-1,9Z,16-trien-4,6-diyn-3,8-diol
Exact Mass
258.1620 (neutral)    Calculate m/z:
FormulaC17H22O2
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283281
InChIKeyOLUQMFYBNOJBQQ-UVTDQMKNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h3-4,10,14,16
-19H,1-2,5-9H2/b14-10-
SMILESC(O)(C=C)C#CC#CC(O)/C=C\CCCCCC=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
301.76Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.17Molar
Refractivity
81.21