Structure Database (LMSD)

Common Name
SFE 3:0(2Me)/3:0
Systematic Name
2-Methylpropyl propionate
Synonyms
  • WE(3:0(2Me)/3:0)
LM ID
LMFA07010567
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oreotragus oreotragus (#66444)
Mammalia (#40674)
Mammalian Exocrine Secretions XI. Constituents of the Preorbital Secretion of Klipspringer, Oreotragus oreotragus,
Journal of Chemical Ecology, 1997

String Representations

InChiKey (Click to copy)
FZXRXKLUIMKDEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
SMILES (Click to copy)
O=C(CC)OCC(C)C

Other Databases

HMDB ID
HMDB0034239
CHEBI ID
88813
PubChem CID
10895

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.88
Molar Refractivity 36.58

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Created at
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Updated at
3rd Jun 2025