Structure Database (LMSD)

Common Name
Adipaldehyde
Systematic Name
hexanedial
Synonyms
  • Adipic dialdehyde
LM ID
LMFA06000008
Formula
C6H10O2
Exact Mass
Calculate m/z
114.06808
Sum Composition
FAL 6:1;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)
UMHJEEQLYBKSAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2
SMILES (Click to copy)
C(=O)([H])CCCCC([H])=O

Other Databases

CHEBI ID
180386
PubChem CID
70620

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 124.66
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 0.94
Molar Refractivity 30.60

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Created at
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Updated at
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