Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010467
Common NameMethyl tetradecanoate
Systematic NameMethyl tetradecanoate
SynonymsWE(1:0/14:0)
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID31284
HMDB IDHMDB0030469
CHEBI ID89199
CAYMAN ID9001867
InChIKeyZAZKJZBWRNNLDS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
Click to highlight InChI
SMILES
O=C(CCCCCCCCCCCCC)OC
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.86Molar
Refractivity
73.09