Structure Database (LMSD)

Common Name
2,4,7-decatrienal
Systematic Name
2,4,7-decatrienal
Synonyms
LM ID
LMFA06000060
Formula
C10H14O
Exact Mass
Calculate m/z
150.104465
Sum Composition
FAL 10:3
Status
Curated
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)
KEXCNWISTVJVBV-SIRUGEDZSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3+,7-6+,9-8+
SMILES (Click to copy)
CC/C=C/C/C=C/C=C/C([H])=O

Other Databases

CHEBI ID
190805
PubChem CID
5283352

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 179.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.65
Molar Refractivity 48.39

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Created at
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Updated at
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