Structure Database (LMSD)

Common Name
(Z)-2-Nonenyl propionate
Systematic Name
(Z)-2-Nonenyl propionate
Synonyms
  • WE(9:1(2Z)/3:0)
LM ID
LMFA07010630
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Sum Composition
SFE 12:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FFZSUDLXHLWPMI-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h9-10H,3-8,11H2,1-2H3/b10-9-
SMILES (Click to copy)
O=C(CC)OC/C=C\CCCCCC

Other Databases

CHEBI ID
179190
PubChem CID
6450502

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.75
Molar Refractivity 59.64

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Created at
-
Updated at
6th Jun 2022