Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000016
Common Name13-tetradecen-2,4-diyn-1-ol
Systematic Name13-tetradecen-2,4-diyn-1-ol
Synonymstetradeca-13-en-2,4-diyn-1-ol
Exact Mass
204.1514 (neutral)    Calculate m/z:
FormulaC14H20O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283270
InChIKeyCENJVOWTHMJWMU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-9,14H2
SMILESC(CO)#CC#CCCCCCCCC=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
246.35Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.19Molar
Refractivity
65.64