Structure Database (LMSD)

Common Name
4-hydroxy-2-octenal
Systematic Name
4-hydroxy-2-octenal
Synonyms
LM ID
LMFA06000039
Formula
C8H14O2
Exact Mass
Calculate m/z
142.09938
Sum Composition
FAL 8:1;O
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)
PYWFGGNTBVBZAT-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h4,6-8,10H,2-3,5H2,1H3/b6-4+
SMILES (Click to copy)
CCCCC(O)/C=C/C([H])=O

Other Databases

CHEBI ID
180298
PubChem CID
5283334

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.58
Molar Refractivity 41.25

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Created at
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Updated at
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