Structure Database (LMSD)

Common Name
undecyl butyrate
Systematic Name
undecyl butyrate
Synonyms
  • WE(11:0/4:0)
LM ID
LMFA07010423
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Active
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)
DPMDQRRFSVRUMR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h3-14H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCCC

Other Databases

CHEBI ID
196019
PubChem CID
79581

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

Admin

Created at
-
Updated at
6th Jun 2022