Structure Database (LMSD)

O H
Common Name
6,8-nonadienal
Systematic Name
6,8-nonadienal
Synonyms
LM ID
LMFA06000049
Formula
C9H14O
Exact Mass
Calculate m/z
138.104465
Sum Composition
FAL 9:2
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)
KFCWBYVPPYORPI-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h2-4,9H,1,5-8H2/b4-3+
SMILES (Click to copy)
C(/C=C/CCCCC([H])=O)=C

References

Other Databases

PubChem CID
5283342

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 165.13
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.49
Molar Refractivity 43.87

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Created at
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Updated at
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