Structure Database (LMSD)
Common Name
5-n-nonadecylresorcinol
Systematic Name
5-nonadecylbenzene-1,3-diol
Synonyms
3D model of 5-n-nonadecylresorcinol
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)
PUNOCEUUYUXUGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCC)C=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
1
Rotatable Bonds
18
Van der Waals Molecular Volume
427.46
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
8.29
Molar Refractivity
117.64
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Created at
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Updated at
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