Structure Database (LMSD)

O O
Common Name
ethyl propionate
Systematic Name
ethyl propionate
Synonyms
  • WE(2:0/3:0)
LM ID
LMFA07010411
Formula
C5H10O2
Exact Mass
Calculate m/z
102.06808
Sum Composition
SFE 5:0
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)
FKRCODPIKNYEAC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
SMILES (Click to copy)
O=C(CC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0030058
CHEBI ID
41330
PubChem CID
7749
PDB ID
CA1

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 110.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.24
Molar Refractivity 27.41

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Created at
-
Updated at
6th Jun 2022