Structure Database (LMSD)

Common Name
SFE 5:0/2:0
Systematic Name
Pentyl acetate
Synonyms
LM ID
LMFA07010176
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
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Phenology of semiochemical-mediated host foraging by the western boxelder bug, Boisea rubrolineata, an aposematic seed predator.,
J Chem Ecol, 2009
Pubmed ID: 19123035

String Representations

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

Other Databases

Wikipedia
Pentyl_acetate
HMDB ID
HMDB0039095
CHEBI ID
87362
PubChem CID
12348

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

Admin

Created at
-
Updated at
2nd Jun 2025