Structure Database (LMSD)

O O
Common Name
propyl 2-heptynoate
Systematic Name
propyl 2-heptynoate
Synonyms
  • WE(3:0/7:1(2Y))
LM ID
LMFA07010519
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
SFE 10:2
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
ZRBPUEOLDSVZMI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-6,9H2,1-2H3
SMILES (Click to copy)
O=C(C#CCCCC)OCCC

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic Attractants Screened in the Field as Lures for Chloropidae,
Ann Ent Soc Am, 1973

Other Databases

PubChem CID
249200

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.42
Molar Refractivity 49.04

Admin

Created at
-
Updated at
6th Jun 2022