Structure database (LMSD)

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LM IDLMPK15030015
Common Name5-((Z)-undec-3-en-1-yl)resorcinol
Systematic Name(Z)-5-(undec-3-en-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
262.1933 (neutral)    Calculate m/z:
FormulaC17H26O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID12314118
InChIKeyKBZMDBAMUVCKBO-HJWRWDBZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19
H,2-7,10-11H2,1H3/b9-8-
SMILESC1(O)C=C(CC/C=C\CCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings1Rotatable Bonds9
 van der Waals
Molecular Volume
286.42Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.95Molar
Refractivity
80.61