Structure database (LMSD)

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LM IDLMPK15030012
Common Name5-pentadecylresorcinol
Systematic Name5-pentadecylbenzene-1,3-diol
Synonyms-
Exact Mass
320.2715 (neutral)    Calculate m/z:
FormulaC21H36O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID76617
HMDB IDHMDB0031009
CAYMAN ID22163
InChIKeyKVVSCMOUFCNCGX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-
18,22-23H,2-15H2,1H3
SMILESC1(O)C=C(CCCCCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
358.26Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.73Molar
Refractivity
99.17