Structure Database (LMSD)

Common Name
3-oxo-Tetradecanal
Systematic Name
3-oxo-Tetradecanal
Synonyms
LM ID
LMFA06000189
Status
Active
Exact Mass
Calculate m/z
226.19328
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XLYLQUQHYUOPIW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13H,2-12H2,1H3
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCC)(=O)[H]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhinotermes hispidus (#280684)
Insecta (#50557)
A novel enolic β-ketoaldehyde in the defense secretion of the termite Rhinotermes hispidus,
Tetrahedron Letts, 1980

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.07
Molar Refractivity 67.53

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Created at
-
Updated at
4th Apr 2022