Structure Database (LMSD)
Common Name
3-nonadecylphenol
Systematic Name
3-nonadecylphenol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-nonadecylphenol
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)
CVAJGZCZYKYYFH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h19,21-23,26H,2-18,20H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCCCCCCCC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
1
Rotatable Bonds
18
Van der Waals Molecular Volume
418.67
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.59
Molar Refractivity
115.97
Admin
Created at
-
Updated at
-