Structure Database (LMSD)

Common Name
2-nonene-4,6,8-triynal
Systematic Name
2-nonene-4,6,8-triynal
Synonyms
LM ID
LMFA06000050
Formula
C9H4O
Exact Mass
Calculate m/z
128.026215
Sum Composition
FAL 9:7
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)
YZDIZAOHDWYDBH-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C9H4O/c1-2-3-4-5-6-7-8-9-10/h1,7-9H/b8-7+
SMILES (Click to copy)
C(=C/C#CC#CC#C)\C([H])=O

Other Databases

PubChem CID
5283343

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 151.93
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 0.38
Molar Refractivity 39.59

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Created at
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Updated at
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