Structure Database (LMSD)

O O
Common Name
nonyl butyrate
Systematic Name
nonyl butyrate
Synonyms
  • WE(9:0/4:0)
LM ID
LMFA07010421
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
SFE 13:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RVNCBAPCNVAWOY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h3-12H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180115
PubChem CID
75836

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.37
Molar Refractivity 64.35

Admin

Created at
-
Updated at
6th Jun 2022