Structure Database (LMSD)

Common Name
4-undecenal
Systematic Name
4-undecenal
Synonyms
LM ID
LMFA06000066
Formula
C11H20O
Exact Mass
Calculate m/z
168.151415
Sum Composition
FAL 11:1
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)
QGNDNDFXCNBMKI-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,11H,2-6,9-10H2,1H3/b8-7+
SMILES (Click to copy)
C(C)CCCC/C=C/CCC([H])=O

Other Databases

PubChem CID
5283357

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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