Structure Database (LMSD)

Common Name
4,10-undecadiynal
Systematic Name
4,10-undecadiynal
Synonyms
LM ID
LMFA06000070
Formula
C11H14O
Exact Mass
Calculate m/z
162.104465
Sum Composition
FAL 11:4
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)
UWQTVOGCRQIRPD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H14O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,11H,3-6,9-10H2
SMILES (Click to copy)
C(C#CCCCCC#C)CC([H])=O

Other Databases

CHEBI ID
137721
PubChem CID
5283360

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 194.45
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.16
Molar Refractivity 50.38

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Created at
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Updated at
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