Structure database (LMSD)

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LM IDLMPK15030032
Common Name5-((8Z,11Z)-nonadeca-8,11-dien-1-yl)resorcinol
Systematic Name5-((8Z,11Z)-nonadeca-8,11-dien-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
372.3028 (neutral)    Calculate m/z:
FormulaC25H40O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID126457711
InChIKeyPFVKWRMTQZHZLM-MURFETPASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(2
7)21-23/h8-9,11-12,20-22,26-27H,2-7,10,13-19H2,1H3/b9-8-,12-11-
SMILESC1(O)C=C(CCCCCCC/C=C\C/C=C\CCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds16
 van der Waals
Molecular Volume
422.18Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.84Molar
Refractivity
117.45