Structure Database (LMSD)

O H
Common Name
3,6-nonadienal
Systematic Name
3,6-nonadienal
Synonyms
LM ID
LMFA06000047
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)
FIDBXHOCOXRPRO-FZWLCVONSA-N
InChi (Click to copy)
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6+
SMILES (Click to copy)
C(/C=C/C/C=C/CC([H])=O)C

References

Other Databases

PubChem CID
5283340

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
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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