Structure database (LMSD)

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LM IDLMPK15030011
Common Name5-tridecylresorcinol
Systematic Name5-tridecylbenzene-1,3-diol
Synonyms-
Exact Mass
292.2402 (neutral)    Calculate m/z:
FormulaC19H32O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID174862
InChIKeyUXOGOSLLGMYCNL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-
21H,2-13H2,1H3
SMILESC1(O)C=C(CCCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings1Rotatable Bonds12
 van der Waals
Molecular Volume
323.66Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.95Molar
Refractivity
89.94