Structure database (LMSD)

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LM IDLMFA07010463
Common NameMethyl dodecanoate
Systematic NameMethyl dodecanoate
SynonymsWE(1:0/12:0)
Exact Mass
214.1933 (neutral)    Calculate m/z:
FormulaC13H26O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID8139
HMDB IDHMDB0031018
CHEBI ID87494
CAYMAN ID20608
InChIKeyUQDUPQYQJKYHQI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
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SMILES
O=C(CCCCCCCCCCC)OC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
248.40Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.08Molar
Refractivity
63.86