Structure Database (LMSD)

Common Name
(E)-2-Butenyl butyrate
Systematic Name
(E)-2-Butenyl butyrate
Synonyms
  • WE(4:1(2E)/4:0)
LM ID
LMFA07010581
Formula
C8H14O2
Exact Mass
Calculate m/z
142.09938
Sum Composition
SFE 8:1
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
RTMMLEZUIUUHHW-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
SMILES (Click to copy)
O=C(CCC)OC/C=C/C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180301
PubChem CID
5366242

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.19
Molar Refractivity 41.17

Admin

Created at
-
Updated at
6th Jun 2022