Structure Database (LMSD)

Common Name
propionyl dodecanoate
Systematic Name
propionyl dodecanoate
Synonyms
  • WE(3:0/12:0)
LM ID
LMFA07010465
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
WE 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]
Wax monoesters [FA0701]

References

Comments
Pherobase Semiochemicals

String Representations

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

Other Databases

CHEBI ID
196018
PubChem CID
77255

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 5.15
Molar Refractivity 73.58

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Created at
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Updated at
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