Structure Database (LMSD)
Common Name
5-nonacosylresorcinol
Systematic Name
5-nonacosylbenzene-1,3-diol
Synonyms
3D model of 5-nonacosylresorcinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OXFCQJVRLYHTFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-30-34(36)32-35(37)31-33/h30-32,36-37H,2-29H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
1
Aromatic Rings
1
Rotatable Bonds
28
Van der Waals Molecular Volume
600.46
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
12.19
Molar Refractivity
163.81
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Created at
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Updated at
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