Structure Database (LMSD)

Common Name
4-oxo-2E-Decenal
Systematic Name
4-oxo-2E-Decenal
Synonyms
LM ID
LMFA06000144
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
FAL 10:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pentatominae (#286710)
Insecta (#50557)
Instar-specific defensive secretions of stink bugs (Heteroptera: Pentatomidae),
Experientia, 1992

String Representations

InChiKey (Click to copy)
TYFWJIXSKYGHKW-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-9H,2-5,7H2,1H3/b8-6+
SMILES (Click to copy)
C(/C=C/C(=O)CCCCCC)(=O)[H]

Other Databases

CHEBI ID
195793
PubChem CID
6442990

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.28
Molar Refractivity 48.97

Admin

Created at
-
Updated at
8th Jan 2025