Structure Database (LMSD)

Common Name
Ethyl 3-iodo-2E-acrylate
Systematic Name
Ethyl 3-iodo-2E-propenoate
Synonyms
LM ID
LMFA01090138
Formula
C5H7IO2
Exact Mass
Calculate m/z
225.949082
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asparagopsis taxiformis (#260499)
Florideophyceae (#2806)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
AELYFQSZXFFNGP-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3+
SMILES (Click to copy)
C(/C=C/I)(=O)OCC

Other Databases

CHEBI ID
187432
PubChem CID
639791

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 132.64
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.78
Molar Refractivity 40.28

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Updated at
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