Structure Database (LMSD)

Common Name
Methyl tetradecanoate
Systematic Name
Methyl tetradecanoate
Synonyms
  • WE(1:0/14:0)
LM ID
LMFA07010467
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ZAZKJZBWRNNLDS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OC

Other Databases

HMDB ID
HMDB0030469
CHEBI ID
89199
PubChem CID
31284
Cayman ID
9001867

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.86
Molar Refractivity 73.09

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Created at
-
Updated at
6th Jun 2022