Structure Database (LMSD)

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


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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
PDB 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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