Structure Database (LMSD)

Common Name
Stearaldehyde
Systematic Name
octadecanal
Synonyms
LM ID
LMFA06000098
Status
Active
Exact Mass
Calculate m/z
268.276615
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)
FWWQKRXKHIRPJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
SMILES (Click to copy)
C(CCCCCCCC)CCCCCCCCC([H])=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 326.11
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.45
Molar Refractivity 85.61

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Created at
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Updated at
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