Structure Database (LMSD)

Common Name
2E,4E,6E,8E,10E,12E,14E,16E-octadecaoctaenal
Systematic Name
(2E,4E,6E,8E,10E,12E,14E,16E)-octadeca-2,4,6,8,10,12,14,16-octaenal
Synonyms
LM ID
LMFA06000270
Status
Active
Exact Mass
Calculate m/z
252.151415
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)
GSUNCNFQKZBVCL-NZOYRFRLSA-N
InChi (Click to copy)
InChI=1S/C18H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+
SMILES (Click to copy)
C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Octocorallia (#6132)
Anthozoa (#6101)
New Strategies for Identifying Natural Products of Ecological Significance from Corals: Nondestructive Raman Spectroscopy Analysis,
Studies in Natural Products Chemistry, 2014

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 304.99
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.65
Molar Refractivity 84.86

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Created at
27th Jun 2019
Updated at
27th Jun 2019