Structure database (LMSD)

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LM IDLMPK15030019
Common Name5-((Z)-pentadec-6-en-1-yl)resorcinol
Systematic Name(Z)-5-(pentadec-6-en-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
318.2559 (neutral)    Calculate m/z:
FormulaC21H34O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID15719518
InChIKeyILJXFGOEICZEIB-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h9-1
0,16-18,22-23H,2-8,11-15H2,1H3/b10-9-
SMILESC1(O)C=C(CCCCC/C=C\CCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
355.62Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.51Molar
Refractivity
99.08