Structure Database (LMSD)

Common Name
SFE 8:2(2E,7E)(3Me,7Me)/3:0
Systematic Name
(E)-3,7-Dimethyl-2,7-octadienyl propionate
Synonyms
  • WE(8:2(2E,7E)(3Me,7Me)/3:0)
  • alpha-geranyl propionate
LM ID
LMFA07010622
Formula
C13H22O2
Exact Mass
Calculate m/z
210.16198
Sum Composition
SFE 13:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Diaspidiotus perniciosus (#665250)
Insecta (#50557)
Synthesis and identification of a third component of the San Jose scale sex pheromone.,
J Chem Ecol, 1981
Pubmed ID: 24420684

String Representations

InChiKey (Click to copy)
NACFFFPZCNALMT-FMIVXFBMSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h9H,2,5-8,10H2,1,3-4H3/b12-9+
SMILES (Click to copy)
O(C(=O)CC)C/C=C(\C)/CCCC(C)=C

Other Databases

PubChem CID
11252129

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 243.12
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.92
Molar Refractivity 64.16

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Created at
-
Updated at
8th Apr 2025