Structure Database (LMSD)

Common Name
5-undecylresorcinol
Systematic Name
5-undecylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030010
Status
Active
Exact Mass
Calculate m/z
264.20893
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SXRLJXDYAKBNRZ-UHFFFAOYSA-N
InChi (Click to copy)
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

References

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

Admin

Created at
-
Updated at
-