Structure Database (LMSD)
Common Name
5-tridecylresorcinol
Systematic Name
5-tridecylbenzene-1,3-diol
Synonyms
3D model of 5-tridecylresorcinol
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)
UXOGOSLLGMYCNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCC)C=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
1
Rotatable Bonds
12
Van der Waals Molecular Volume
323.66
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.95
Molar Refractivity
89.94
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Created at
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Updated at
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