Structure Database (LMSD)

Common Name
8E,10Z-Dodecadienyl acetate
Systematic Name
8E,10Z-Dodecadienyl acetate
Synonyms
LM ID
LMFA07010240
Status
Active
Exact Mass
Calculate m/z
224.17763
Formula
C14H24O2
Abbrev
SFE 14:2
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]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
NTKDSWPSEFZZOZ-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3/b4-3-,6-5+
SMILES (Click to copy)
O(C(=O)C)CCCCCCC/C=C/C=C\C

References

Comments
Pherobase

Other Databases

PubChem CID
1747817

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 260.42
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.31
Molar Refractivity 68.78

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Created at
-
Updated at
6th Jun 2022