Structure Database (LMSD)

Common Name
4,6-heptadienal
Systematic Name
4,6-heptadienal
Synonyms
LM ID
LMFA06000025
Formula
C7H10O
Exact Mass
Calculate m/z
110.073165
Sum Composition
FAL 7:2
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)
LRXHBCFIMDSOLD-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2-4,7H,1,5-6H2/b4-3+
SMILES (Click to copy)
C=C/C=C/CCC([H])=O

Other Databases

CHEBI ID
195652
PubChem CID
5283322

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 130.53
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.71
Molar Refractivity 34.63

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Created at
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Updated at
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