Structure Database (LMSD)

Common Name
2,4,6,8-decatetraenal
Systematic Name
2,4,6,8-decatetraenal
Synonyms
LM ID
LMFA06000061
Formula
C10H12O
Exact Mass
Calculate m/z
148.088815
Sum Composition
FAL 10:4
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)
ADCGETJXLJQTBY-GAXCVXDLSA-N
InChi (Click to copy)
InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h2-10H,1H3/b3-2+,5-4+,7-6+,9-8+
SMILES (Click to copy)
C/C=C/C=C/C=C/C=C/C([H])=O

Other Databases

CHEBI ID
165517
PubChem CID
5283353

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 177.15
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.43
Molar Refractivity 48.30

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Created at
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Updated at
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