Structure Database (LMSD)

Common Name
Ethyl pentanoate
Systematic Name
ethyl pentanoate
Synonyms
LM ID
LMFA07010881
Formula
C7H14O2
Exact Mass
Calculate m/z
130.09938
Sum Composition
SFE 7:0
Status
Curated
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]

String Representations

InChiKey (Click to copy)
ICMAFTSLXCXHRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
SMILES (Click to copy)
O(C(=O)CCCC)CC

Other Databases

HMDB ID
HMDB0040297
CHEBI ID
89771
PubChem CID
10882

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.02
Molar Refractivity 36.65

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Created at
-
Updated at
6th Jun 2022