Structure Database (LMSD)

Common Name
4E-decenal
Systematic Name
4E-decenal
Synonyms
LM ID
LMFA06000276
Formula
C10H18O
Exact Mass
Calculate m/z
154.135765
Sum Composition
FAL 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thalassiosira rotula (#49265)
Coscinodiscophyceae (#33836)
Detection of short-chain aldehydes in marine organisms: the diatom Thalassiosira rotula,
Tetrahedron Letts, 2002

String Representations

InChiKey (Click to copy)
CWRKZMLUDFBPAO-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6+
SMILES (Click to copy)
C(CC/C=C/CCCCC)(=O)[H]

Other Databases

PubChem CID
5702654

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 185.07
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.10
Molar Refractivity 48.58

Admin

Created at
20th May 2020
Updated at
20th May 2020