Structure Database (LMSD)
Common Name
5-n-heptadecylresorcinol
Systematic Name
5-heptadecylbenzene-1,3-diol
Synonyms
3D model of 5-n-heptadecylresorcinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BBGNINPPDHJETF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
392.86
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.51
Molar Refractivity
108.40
Admin
Created at
-
Updated at
-