Structure Database (LMSD)

Common Name
4E-Decenyl acetate
Systematic Name
4E-Decenyl acetate
Synonyms
LM ID
LMFA07010202
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
C12H22O2
Abbrev
WE 12:1
Show lipids differing only in stereochemistry/bond geometry
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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)
OVBJYGLPPVUWAV-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7+
SMILES (Click to copy)
O(C(=O)C)CCC/C=C/CCCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
179185
PubChem CID
6533180

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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Updated at
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