Structure Database (LMSD)

Common Name
2,4,6-octatrienal
Systematic Name
2,4,6-octatrienal
Synonyms
LM ID
LMFA06000036
Formula
C8H10O
Exact Mass
Calculate m/z
122.073165
Sum Composition
FAL 8:3
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)
ZUZGMJKUENNLQL-ICDJNDDTSA-N
InChi (Click to copy)
InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+
SMILES (Click to copy)
C/C=C/C=C/C=C/C([H])=O

Other Databases

PubChem CID
5283331

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 145.19
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.87
Molar Refractivity 39.16

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Created at
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Updated at
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