Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK15030009
Common Name5-nonylresorcinol
Systematic Name5-nonylbenzene-1,3-diol
Synonyms-
Exact Mass
236.1776 (neutral)    Calculate m/z:
FormulaC15H24O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID14462134
InChIKeyOYXWBGYHDYVIDT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h10-12,16-17H,2-9H2,1H
3
SMILESC1(O)C=C(CCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic Rings1Rotatable Bonds8
 van der Waals
Molecular Volume
254.46Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.39Molar
Refractivity
71.47