Structure Database (LMSD)

Common Name
2,4,6-undecatrienal
Systematic Name
2,4,6-undecatrienal
Synonyms
LM ID
LMFA06000069
Formula
C11H16O
Exact Mass
Calculate m/z
164.120115
Sum Composition
FAL 11:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
IYJQORLVRUQEIH-SUTYWZMXSA-N
InChi (Click to copy)
InChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-11H,2-4H2,1H3/b6-5+,8-7+,10-9+
SMILES (Click to copy)
C(C)CC/C=C/C=C/C=C/C([H])=O

Other Databases

CHEBI ID
187151
PubChem CID
5283359

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 197.09
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.04
Molar Refractivity 53.01

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Created at
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Updated at
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