Structure Database (LMSD)

Common Name
tridecyl butyrate
Systematic Name
tridecyl butyrate
Synonyms
  • WE(13:0/4:0)
LM ID
LMFA07010425
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
SFE 17:0
Status
Active
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

String Representations

InChiKey (Click to copy)
AAEAAZAPXYHUIW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(18)15-4-2/h3-16H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCCCCC

Other Databases

CHEBI ID
169401
PubChem CID
560647

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.93
Molar Refractivity 82.82

Admin

Created at
-
Updated at
6th Jun 2022