Structure Database (LMSD)

O H
Common Name
2-octenal
Systematic Name
2-octenal
Synonyms
LM ID
LMFA06000029
Formula
C8H14O
Exact Mass
Calculate m/z
126.104465
Sum Composition
FAL 8:1
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)
LVBXEMGDVWVTGY-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
SMILES (Click to copy)
CCCCC/C=C/C([H])=O

References

Other Databases

CHEBI ID
61748
PubChem CID
5283324

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 150.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.32
Molar Refractivity 39.35

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Created at
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Updated at
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