Structure Database (LMSD)

Common Name
9-octadecenal
Systematic Name
9-octadecenal
Synonyms
LM ID
LMFA06000099
Status
Active
Exact Mass
Calculate m/z
266.260965
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)
ZENZJGDPWWLORF-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
SMILES (Click to copy)
C(/CCCCCCCC)=C\CCCCCCCC([H])=O

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.22
Molar Refractivity 85.52

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Created at
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Updated at
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