Structure Database (LMSD)

Common Name
2-Nonenyl acetate
Systematic Name
2-Nonenyl acetate
Synonyms
LM ID
LMFA07010199
Status
Active
Exact Mass
Calculate m/z
184.14633
Formula
C11H20O2
Abbrev
WE 11:1
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
WFCCNPHGLLPSDJ-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCCCC

References

Comments
Pherobase

Other Databases

PubChem CID
6365451

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 211.16
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.36
Molar Refractivity 55.02

Admin

Created at
-
Updated at
-