Structure database (LMSD)

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LM IDLMFA07010474
Common NameMethyl octadecanoate
Systematic NameMethyl octadecanoate
SynonymsWE(1:0/18:0)
Exact Mass
298.2872 (neutral)    Calculate m/z:
FormulaC19H38O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID8201
HMDB IDHMDB0034154
CHEBI ID69188
CAYMAN ID20609
InChIKeyHPEUJPJOZXNMSJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCCCCCC)OC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
352.20Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP6.42Molar
Refractivity
91.56