Structure Database (LMSD)

Common Name
Cetyl alcohol
Systematic Name
1-hexadecanol
Synonyms
LM ID
LMFA05000061
Status
Active
Exact Mass
Calculate m/z
242.260965
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

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
BXWNKGSJHAJOGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
SMILES (Click to copy)
C(CCCCCCCO)CCCCCCCC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 294.15
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.74
Molar Refractivity 77.89

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Created at
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Updated at
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