Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK15030010
Common Name5-undecylresorcinol
Systematic Name5-undecylbenzene-1,3-diol
Synonyms-
Exact Mass
264.2089 (neutral)    Calculate m/z:
FormulaC17H28O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID10587720
InChIKeySXRLJXDYAKBNRZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/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
SMILESC1(O)C=C(CCCCCCCCCCC)C=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings1Rotatable Bonds10
 van der Waals
Molecular Volume
289.06Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.17Molar
Refractivity
80.70