Structure Database (LMSD)
Common Name
propyl 2-heptynoate
Systematic Name
propyl 2-heptynoate
Synonyms
- WE(3:0/7:1(2Y))
3D model of propyl 2-heptynoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Ann Ent Soc Am, 1973
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
Other Databases
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