Structure Database (LMSD)

Common Name
Pimelic dialdehyde
Systematic Name
heptanedial
Synonyms
LM ID
LMFA06000026
Formula
C7H12O2
Exact Mass
Calculate m/z
128.08373
Sum Composition
FAL 7:1;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)
OOLBRPUFHUSCOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7-9/h6-7H,1-5H2
SMILES (Click to copy)
C(=O)([H])CCCCCC([H])=O

Other Databases

CHEBI ID
179464
PubChem CID
104428

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 141.96
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.33
Molar Refractivity 35.21

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Created at
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Updated at
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