Structure Database (LMSD)

Common Name
2-tridecene-4,7-diynal
Systematic Name
2-tridecene-4,7-diynal
Synonyms
LM ID
LMFA06000077
Formula
C13H16O
Exact Mass
Calculate m/z
188.120115
Sum Composition
FAL 13:5
Status
Curated
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)
UNXLTTXDLORHGO-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C13H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-6H2,1H3/b12-11+
SMILES (Click to copy)
C(/C#CC#CCCCCCC)=C\C([H])=O

Other Databases

CHEBI ID
137809
PubChem CID
5283365

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 226.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.72
Molar Refractivity 59.51

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Created at
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Updated at
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