Structure database (LMSD)

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LM IDLMFA07010468
Common Nameethyl tetradecanoate
Systematic Nameethyl tetradecanoate
SynonymsWE(2:0/14:0)
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID31283
HMDB IDHMDB0034153
CAYMAN ID10008197
InChIKeyMMKRHZKQPFCLLS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCC)OCC
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.54Molar
Refractivity
78.20