Structure Database (LMSD)

Common Name
2-undecenal
Systematic Name
2-undecenal
Synonyms
LM ID
LMFA06000065
Formula
C11H20O
Exact Mass
Calculate m/z
168.151415
Sum Composition
FAL 11:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PANBRUWVURLWGY-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
SMILES (Click to copy)
C(C)CCCCCC/C=C/C([H])=O

References

Other Databases

HMDB ID
HMDB0040247
CHEBI ID
132843
PubChem CID
5283356

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 202.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.49
Molar Refractivity 53.20

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Created at
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Updated at
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