Structure Database (LMSD)
Common Name
octacosanal
Systematic Name
octacosanal
Synonyms
3D model of octacosanal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
LVXORIXZNUNHGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O/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/h28H,2-27H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)[H])CCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
499.11
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
10.35
Molar Refractivity
131.78
Admin
Created at
-
Updated at
-