Structure Database (LMSD)

Common Name
4-octenedial
Systematic Name
4-octenedial
Synonyms
LM ID
LMFA06000038
Formula
C8H12O2
Exact Mass
Calculate m/z
140.08373
Sum Composition
FAL 8:2;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)
IPKANKUZIOETCW-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2/b2-1+
SMILES (Click to copy)
C(=O)([H])CC/C=C/CCC([H])=O

Other Databases

CHEBI ID
195729
PubChem CID
5283333

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.50
Molar Refractivity 39.74

Admin

Created at
-
Updated at
2nd Jul 2024