Structure Database (LMSD)
Common Name
1,28-Octacosanediol
Systematic Name
octacosane-1,28-diol
Synonyms
LM ID
LMFA05000582
Formula
Exact Mass
Calculate m/z
426.44368
Sum Composition
Status
Curated
3D model of 1,28-Octacosanediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
MOGIDESHHYPDTP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58O2/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30/h29-30H,1-28H2
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
27
Van der Waals Molecular Volume
510.54
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
9.68
Molar Refractivity
135.19
Admin
Created at
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Updated at
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