Structure Database (LMSD)
Common Name
5-undecylresorcinol
Systematic Name
5-undecylbenzene-1,3-diol
Synonyms
3D model of 5-undecylresorcinol
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)
SXRLJXDYAKBNRZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h12-14,18-19H,2-11H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCC)C=C(O)C=1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
289.06
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.17
Molar Refractivity
80.70
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Created at
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Updated at
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