Structure Database (LMSD)

Common Name
2-decene-4,6,8-triyn-1-al
Systematic Name
2-decene-4,6,8-triyn-1-al
Synonyms
LM ID
LMFA06000063
Formula
C10H6O
Exact Mass
Calculate m/z
142.041865
Sum Composition
FAL 10:7
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
VUDTWAKUCKMKKY-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C10H6O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,1H3/b9-8+
SMILES (Click to copy)
C(#CC#CC#CC)/C=C/C([H])=O

References

Other Databases

CHEBI ID
186869
PubChem CID
5283355

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 169.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 0.77
Molar Refractivity 44.21

Admin

Created at
-
Updated at
-