Structure database (LMSD)

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LM IDLMPK15030004
Common Name5-n-nonadecylresorcinol
Systematic Name5-nonadecylbenzene-1,3-diol
Synonyms-
Exact Mass
376.3341 (neutral)    Calculate m/z:
FormulaC25H44O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID161858
HMDB IDHMDB0030956
InChIKeyPUNOCEUUYUXUGR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)2
2-25(27)21-23/h20-22,26-27H,2-19H2,1H3
SMILESC1(O)C=C(CCCCCCCCCCCCCCCCCCC)C=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds18
 van der Waals
Molecular Volume
427.46Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP8.29Molar
Refractivity
117.64