Structure Database (LMSD)
Common Name
5-pentylresorcinol
Systematic Name
5-pentylbenzene-1,3-diol
Synonyms
3D model of 5-pentylresorcinol
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)
IRMPFYJSHJGOPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCC)C=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
1
Rotatable Bonds
4
Van der Waals Molecular Volume
185.26
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
2.83
Molar Refractivity
53.00
Admin
Created at
-
Updated at
-