Structure Database (LMSD)

Common Name
Montanyl alcohol
Systematic Name
1-octacosanol
Synonyms
  • octacosan-1-ol
LM ID
LMFA05000003
Formula
Exact Mass
Calculate m/z
410.448765
Sum Composition
Status
Active

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
CNNRPFQICPFDPO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCO)CCCCCCCCCCCCCC

Other Databases

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

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 501.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 10.43
Molar Refractivity 133.29

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Created at
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Updated at
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