Structure Database (LMSD)

Common Name
SFE 14:0/4:0
Systematic Name
tetradecyl butyrate
Synonyms
  • WE(14:0/4:0)
LM ID
LMFA07010426
Formula
C18H36O2
Exact Mass
Calculate m/z
284.271531
Sum Composition
SFE 18:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Melitta haemorrhoidalis (#465489)
Insecta (#50557)
Odor correspondence betweenMelittafemales and males of their nest parasiteNomada flavopicta K. (Hymenoptera: Apoidea),
J Chem Ecol, 1976

String Representations

InChiKey (Click to copy)
KIRBCTVJSVTCCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-18(19)16-4-2/h3-17H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCCCCCC

Other Databases

CHEBI ID
196219
PubChem CID
522032

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.32
Molar Refractivity 87.44

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Created at
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Updated at
28th Feb 2025